Compound Identification
SMILES
COC(=O)C1=C(SC(C)(C)C)C2=C(SC(SC(C)(C)C)=C2C(C2=CC=CC=C2)=C1C(=O)OC)C1=CC=CC=C1
InChIKey
InChIKey=AZTQCSIGBODDJL-UHFFFAOYSA-N
Formula
C32H34O4S3
Mass
578.8
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 2-benzothiophenes Thiophenol ethers Alkylarylthioethers Vinylogous thioesters Thiophenes Methyl esters Heteroaromatic compounds Sulfenyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzothiophene - 2-benzothiophene - Aryl thioether - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Thiophene - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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