5-bromo-4-chloro-3-indoxyl oleate - ≥98% , CAS No.341972-97-2

CAS: 341972-97-2 Cat. No.: B664123 PubChem CID: 24801979

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCC=CCCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
• IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) (Z)-octadec-9-enoate
• InChIKey: AQHJSWILJUIBPG-KTKRTIGZSA-N
• INCHI: 1S/C26H37BrClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)31-23-20-29-22-19-18-21(27)26(28)25(22)23/h9-10,18-20,29H,2-8,11-17H2,1H3/b10-9-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
• PubChem CID: 24801979

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Fatty acid esters Substituted pyrroles Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Fatty acid ester - Aryl bromide - Aryl chloride - Aryl halide - Fatty acyl - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y