Compound Identification
SMILES
CCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC1=CC=CC=C1C(=O)NCCCOC(=O)CCCCCCCCC
InChIKey
InChIKey=DJPULBNYGBQRIS-UHFFFAOYSA-N
Formula
C40H60N2O6S2
Mass
729.05
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
Benzamides Benzoyl derivatives Fatty acid esters Dicarboxylic acids and derivatives Secondary carboxylic acid amides Organic disulfides Carboxylic acid esters Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen 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