Compound Identification
SMILES
CCCCCOC(=O)C1=CC(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3O)=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3O)C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3O)=C1
InChIKey
InChIKey=NSQSUVGLFLIZAQ-UHFFFAOYSA-Q
Formula
C42H31N6O14S3
Mass
939.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
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
1-naphthalene sulfonic acids and derivatives Gallic acid and derivatives Naphthols and derivatives Benzoic acid esters Arylsulfonic acids and derivatives Phenoxy compounds Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Organosulfonic acid esters Sulfonyls Carboxylic acid esters Organic diazonium salts Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Gallic acid or derivatives - 1-naphthol - Benzoate ester - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organic diazonium salt - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic cation - Aromatic homopolycyclic 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