Structure Information
Structure

Compound Identification

SMILES

NC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=CC=CC=C1C1=CC=C(C=C1)C1OC(CSC2=CC=CC=C2C(O)=O)CC(O1)C1=CC=C(CO)C=C1

InChIKey

InChIKey=SVLMJTLJQWLGME-UHFFFAOYSA-N

Formula

C43H43N3O7S

Mass

745.89

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid - Anilide - Benzoic acid - Aryl thioether - N-arylamide - 1-carboxy-2-haloaromatic compound - Thiophenol ether - Benzyl alcohol - Benzoyl - Alkylarylthioether - Thia fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Vinylogous thioester - Fatty acyl - Fatty acid - Unsaturated fatty acid - N-acyl-amine - Fatty amide - Meta-dioxane - Amino acid - Thioenolether - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - 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

Previous Back Next