Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(=O)NC2=C(O)C3=C(C=CC=C3S(O)(=O)=O)C=C2)=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=INUMENOZCYXAJI-UHFFFAOYSA-N

Formula

C18H14N2O7S

Mass

402.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Naphthalene sulfonates

Direct Parent

1-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 1-naphthol - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitrotoluene - Toluamide - M-toluamide - Benzoyl - Nitroaromatic compound - Phenol - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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