Compound Identification
SMILES
CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OCC(CC)CCCC
InChIKey
InChIKey=IJXJAMTYVXBDOH-UHFFFAOYSA-N
Formula
C35H62O3S
Mass
562.94
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 Benzoyl derivatives Aryl thioethers Vinylogous thioesters Monothioacetals Carboxylic acid esters Sulfenyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzoate ester - Aryl thioether - Benzoyl - Vinylogous thioester - Monothioacetal - Carboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - 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