Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(CN[N+]1(CCCC1)S(=O)(=O)C1=CC3=C(C=C1)C=C(Cl)C=C3)S2

InChIKey

InChIKey=MCWBJUIDKQLHGR-UHFFFAOYSA-N

Formula

C27H33ClN3O4S2

Mass

563.15

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Naphthalene sulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

2-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - Thienopyridine - 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Pyridine - Sulfonohydrazide - Pyrrolidine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Thiophene - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.

External Descriptors

Not available

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