Compound Identification
SMILES
CC1=CC=CC=C1NC(=O)COC(=O)C1=CC=CC=C1[S@](C)=O
InChIKey
InChIKey=GRSDFQGSSSCSNN-QHCPKHFHSA-N
Formula
C17H17NO4S
Mass
331.39
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
Benzoic acid esters Phenyl sulfoxides Anilides N-arylamides Benzoyl derivatives Toluenes Sulfoxides Secondary carboxylic acid amides Carboxylic acid esters Sulfinyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - O-sulfanylbenzoic acid or derivatives - Phenyl sulfoxide - Anilide - Benzoyl - N-arylamide - Toluene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid derivative - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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