You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on ClassyFire.
Structure Information
Structure

Compound Identification

SMILES

[Ca++].CC1=CC=CC=C1NC(=O)CC(=O)CN=NC1=C(C=C(C=C1)S([O-])(=O)=O)[N+]([O-])=O.CC1=CC=CC=C1NC(=O)CC(=O)CN=NC1=C(C=C(C=C1)S([O-])(=O)=O)[N+]([O-])=O

InChIKey

InChIKey=JAHRTQLUBJTOSN-UHFFFAOYSA-L

Formula

C34H30CaN8O14S2

Mass

878.85

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Benzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anilide - Nitroaromatic compound - N-arylamide - Toluene - Fatty acyl - Fatty amide - 1,3-dicarbonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - Azo compound - Carboxamide group - Ketone - C-nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic calcium salt - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

External Descriptors

Not available

Previous Back Next