Compound Identification
SMILES
O=C(CCCCC[N+]1=CC=CC=C1)SC1=CC=CC=C1C(=O)NCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=MVKNRRWPEXQMQK-UHFFFAOYSA-O
Formula
C26H27N2O4S
Mass
463.57
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
Thiophenol esters Benzamides Benzodioxoles Aryl thioethers Benzoyl derivatives Fatty acyl thioesters Pyridinium derivatives Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Acetals Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Benzodioxole - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Pyridinium - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Oxacycle - Acetal - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic cation - 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