Compound Identification
SMILES
[O-]OOSC1=C(C(=O)OCCC2CCCCC2)C(C(=O)OCCC2CCCCC2)=C(Cl)C=C1
InChIKey
InChIKey=SFAMIPWLOKZUAS-UHFFFAOYSA-M
Formula
C24H32ClO7S
Mass
500.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
M-sulfanylbenzoic acids and derivatives Benzoic acid esters 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Carboxylic acid esters Sulfenyl compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - M-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available