Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.COCCO[C@H]1[C@H](O)[C@H](NC2=C1C=CN1C(C)=C(C)N=C21)C1=CC=CC=C1

InChIKey

InChIKey=HOWFMTUHSQCTSK-YGJXXQMASA-N

Formula

C31H33N3O9S2

Mass

655.74

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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 sulfonate - 1-naphthalene sulfonic acid or derivatives - Diazanaphthalene - Naphthyridine - Arylsulfonic acid or derivatives - Imidazo[1,2-a]pyridine - 1-sulfo,2-unsubstituted aromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Secondary amine - Azacycle - Dialkyl ether - Ether - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - 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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