Compound Identification
SMILES
OC(=O)C1COCN1C(=O)C1=CC=CC=C1SSC1=CC=CC=C1C(=O)N1COCC1C(O)=O
InChIKey
InChIKey=QOCPPXMIERMWEN-UHFFFAOYSA-N
Formula
C22H20N2O8S2
Mass
504.53
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
Alpha amino acids and derivatives Benzamides Benzoyl derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Oxazolidines Organic disulfides Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Carboxylic acids Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Dicarboxylic acid or derivatives - Oxazolidine - Tertiary carboxylic acid amide - Carboxamide group - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic 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