Compound Identification
SMILES
CC1=CC(C(O)=O)=C(CSC2=CC=CC=C2C(O)=O)O1
InChIKey
InChIKey=HMIGCRBWQUHQPI-UHFFFAOYSA-N
Formula
C14H12O5S
Mass
292.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Level 6
O-sulfanylbenzoic acids and derivatives
- Level 7 O-sulfanylbenzoic acids
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Level 6
O-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids
Alternative Parents
Benzoic acids Thiophenol ethers Furoic acids Furan-3-carboxylic acids Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Dicarboxylic acids and derivatives Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid - Benzoic acid - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Aryl thioether - Benzoyl - Furoic acid - Thiophenol ether - Alkylarylthioether - Dicarboxylic acid or derivatives - Vinylogous thioester - Heteroaromatic compound - Furan - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available