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Structure Information
Structure

Compound Identification

SMILES

CC1(C)C(\C=C\C2=C(SC3=CC=C([NH3+])C=C3)\C(\CCC2)=C\C=C2/C(C)(C)C3=C(C=CC4=C3C=CC(=C4)S([O-])(=O)=O)[N+]22CC2S([O-])(=O)=O)=[N+](CCS([O-])(=O)=O)C2=C1C1=C(C=C2)C=C(SOO[O-])C=C1

InChIKey

InChIKey=OELGUISCVQDOSN-QGYHSPHASA-M

Formula

C48H46N3O12S5

Mass

1017.21

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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

2-naphthalene sulfonates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - Aniline or substituted anilines - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - N-vinylaziridine - Vinylaziridine - Thioenolether - Sulfenyl compound - Aziridine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group 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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