Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C([O-])=O.OC(=O)\C=C\C([O-])=O.COc1cc(C(=O)OCCC[NH+]2CCC[NH+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3[N+]([O-])=O)CC2)c(c(OC)c1OC)[N+]([O-])=O

InChIKey

InChIKey=PTJGIJNUKVLKSG-LVEZLNDCSA-N

Formula

C39H50N4O22

Mass

926.835

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

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Nitrobenzoate - Gallic acid or derivatives - Nitrophenyl ether - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyaniline - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Diazepane - Alkyl aryl ether - 1,4-diazepane - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Organic nitro compound - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid - Organic salt - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

Previous Back Next