Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.CC(C)(C)C(OCC1=CC=C(Cl)C=C1)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1

InChIKey

InChIKey=KFNFJBJAKOYHQJ-UHFFFAOYSA-N

Formula

C31H31Cl2N3O8S2

Mass

708.62

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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

Not available

Substituents

1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - Benzylether - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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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