for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)NC(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)O |
|---|---|
| IUPAC Name | 4-hydroxy-6-[(8-hydroxy-6-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid |
| InChIKey | XUMPVMRAPYSHRQ-UHFFFAOYSA-N |
| INCHI | 1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)5-11-1-3-13(7-17(11)19)22-21(26)23-14-4-2-12-6-16(34(30,31)32)10-20(25)18(12)8-14/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32) |
| Peso molecular | 504.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Naphthalenes |
| Subclass | Naphthalene sulfonic acids and derivatives |
| Intermediate Tree Nodes | Naphthalene sulfonates |
| Direct Parent | 2-naphthalene sulfonates |
| Alternative Parents | 2-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Carbonic acid derivative - Urea - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 504.500 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 504.03 Da |
| Monoisotopic Mass | 504.03 Da |
| Topological Polar Surface Area | 207.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 886.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-Hydroxy-6-{[(8-hydroxy-6-sulfonaphthalen-2-yl)carbamoyl]amino}naphthalene-2-sulfonic acid - CAS No(6266-54-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1306917.jpg)