Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)N1C(=N2)C(C#N)=C(C)C(=NNC2=C(OCCCS(O)(=O)=O)C=C(N=NC3=C(SCCCS(O)(=O)=O)C=C(N=NC4=NC5=C(S4)C4=CC=CC=C4C=C5S(O)(=O)=O)C(C)=C3)C(C)=C2)C1=O

InChIKey

InChIKey=ACJNFLKTTKDFPB-UHFFFAOYSA-N

Formula

C45H40N10O12S5

Mass

1073.17

Export to:

JSON SDF CSV

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

Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthothiazole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzimidazole - 1,3-benzothiazole - Phenylhydrazine - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Thiophenol ether - N-acylimidazole - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiazole - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Imidazole - Azo compound - Lactam - Thioether - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Cyanide - Organonitrogen compound - Organooxygen compound - 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

Previous Back Next