Structure Information
Structure

Compound Identification

SMILES

OP(O)(O)=O.CCSC1=CC(C(=O)NCC2CCCN2CC)=C(OC)C=C1

InChIKey

InChIKey=TVUDHJIMDCAZEW-UHFFFAOYSA-N

Formula

C17H29N2O6PS

Mass

420.46

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

Direct Parent

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

M-sulfanylbenzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Organic phosphoric acid derivative - N-alkylpyrrolidine - Pyrrolidine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-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 3, respectively.

External Descriptors

Not available

Previous Back Next