Compound Identification
SMILES
CCOC(=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=HLAAGTOTKUVPJQ-UHFFFAOYSA-Q
Formula
C39H25N6O14S3
Mass
897.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
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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 Organic diazonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives 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 - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Phenoxy compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Organosulfonic acid ester - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen 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