Benzenesulfonic acids and derivatives

Description:

Organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

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  1. Calcium;2-ethenylbenzenesulfonate
    CAS: 37286-92-3 EC Number: 682-725-8 PubChem CID: 169893
    Out of Stock Item #: C976698
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    Technical Identifiers
    IUPAC Name
    calcium;2-ethenylbenzenesulfonate
    SMILES
    C=CC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]
    InChIKey
    IJBYVKWTVVYTPL-UHFFFAOYSA-M
    InChI
    1S/C8H8O3S.Ca/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+2/p-1
  2. D&C Red No. 8
    CAS: 2092-56-0 EC Number: EINECS 218-248-5 Formula: C17H12ClN2NaO4S Molecular Weight: 398.800
    Out of Stock Item #: D993907
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    IUPAC Name
    sodium;5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate
    SMILES
    CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Na+]
    InChIKey
    LLELVHKMCSBMCX-UHFFFAOYSA-M
    InChI
    1S/C17H13ClN2O4S.Na/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2-9,21H,1H3,(H,22,23,24);/q;+1/p-1
  3. 1-Piperidinebutanoic acid, 4-[(4-chlorophenyl)-2-pyridinylmethoxy]-(benzenesulfonate)(1:1)
    CAS: 1415692-17-9 PubChem CID: 53394973 Formula: C21H25ClN2O3·C6H6O3S Molecular Weight: 388.8915818
    Out of Stock Item #: P1029048
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    IUPAC Name
    benzenesulfonic acid;4-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
    SMILES
    C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)O
    InChIKey
    UDGHXQPQKQPSBB-UHFFFAOYSA-N
    InChI
    1S/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,show more
  4. Piperazine sultosylate
    CAS: 57775-27-6 EC Number: 260-944-6 Formula: C17H22N2O7S2 Molecular Weight: 430.5
    Out of Stock Item #: P1234897
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    IUPAC Name
    2-hydroxy-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid;piperazine
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O.C1CNCCN1
    InChIKey
    HGAVKWUHBLHFNP-UHFFFAOYSA-N
    InChI
    1S/C13H12O7S2.C4H10N2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17;1-2-6-4-3-5-1/h2-8,14H,1H3,(H,15,16,17);5-6H,1-4H2
  5. Linear alkylbenzenesulfonic acid
    CAS: 68584-22-5 EC Number: 271-528-9 Formula: RC6H4SO3H R=C10H21-C13H27
    Liquid ≥96%
    In Stock Item #: L1371607
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    IUPAC Name
    4-dodecylbenzenesulfonic acid
    SMILES
    CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
    InChIKey
    KWXICGTUELOLSQ-UHFFFAOYSA-N
    InChI
    1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
  6. tert-Butyl 4-methylbenzenesulfonate
    CAS: 4664-57-7 Formula: C11H16O3S Molecular Weight: 228.31
    Liquid ≥98%
    Out of Stock Item #: T769972
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    IUPAC Name
    tert-butyl 4-methylbenzenesulfonate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)C
    InChIKey
    DLRDEMODNIPHMU-UHFFFAOYSA-N
    InChI
    1S/C11H16O3S/c1-9-5-7-10(8-6-9)15(12,13)14-11(2,3)4/h5-8H,1-4H3
    Synonyms
    tert-Butyl Tosylate
  7. ZINC PHENOLSULFONATE
    CAS: 127-82-2 Formula: C12H10O8S2Zn Molecular Weight: 411.72
    Out of Stock Item #: Z768970
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    Technical Identifiers
    SMILES
    C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Zn+2]
    InChIKey
    ZNVKGUVDRSSWHV-UHFFFAOYSA-L
    InChI
    1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
  8. Zinc p-toluenesulfonate xhydrate
    CAS: 123334-05-4 PubChem CID: 16212267 Formula: C14H16O7S2Zn Molecular Weight: 425.8
    Out of Stock Item #: Z770313
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    IUPAC Name
    zinc;4-methylbenzenesulfonate;hydrate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Zn+2]
    InChIKey
    JCOXFVWERPVZPB-UHFFFAOYSA-L
    InChI
    1S/2C7H8O3S.H2O.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*2-5H,1H3,(H,8,9,10);1H2;/q;;;+2/p-2
  9. [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonate
    CAS: 175712-02-4 PubChem CID: 46223299 Formula: C20H18ClF2N3O4S Molecular Weight: 469.9
    Out of Stock Item #: T770210
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    Technical Identifiers
    IUPAC Name
    [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate
    SMILES
    C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)Cl
    InChIKey
    WUPORSBDFSRGHD-XOBRGWDASA-N
    InChI
    1S/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1
  10. Pentyl 4-methylbenzenesulfonate
    CAS: 4450-76-4 PubChem CID: 78195 Formula: C12H18O3S Molecular Weight: 242.34
    Out of Stock Item #: P770477
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    Technical Identifiers
    IUPAC Name
    pentyl 4-methylbenzenesulfonate
    SMILES
    CCCCCOS(=O)(=O)C1=CC=C(C=C1)C
    InChIKey
    KOUCTZDKTJGHSS-UHFFFAOYSA-N
    InChI
    1S/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
  11. 4-dodecan-3-ylbenzenesulfonic acid
    CAS: 18777-54-3 Formula: C18H30O3S Molecular Weight: 326.49
    Out of Stock Item #: D770394
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    Technical Identifiers
    SMILES
    CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O
    InChIKey
    QJRVOJKLQNSNDB-UHFFFAOYSA-N
    InChI
    1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)
  12. m-Toluenesulfonic acid monohydrate
    CAS: 312619-56-0 EC Number: 679-392-6 PubChem CID: 53249652 Formula: C7H10O4S Molecular Weight: 190.22
    Out of Stock Item #: M770711
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    Technical Identifiers
    IUPAC Name
    3-methylbenzenesulfonic acid;hydrate
    SMILES
    CC1=CC(=CC=C1)S(=O)(=O)O.O
    InChIKey
    GHLYGGIKYFLYTH-UHFFFAOYSA-N
    InChI
    1S/C7H8O3S.H2O/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
    Synonyms
    3-Methylbenzenesulfonic acid hydrate | Paroxetine Impurity 34
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