Compound Identification
SMILES
CCOC(=O)C1=CC(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])=C1
InChIKey
InChIKey=HLAAGTOTKUVPJQ-UHFFFAOYSA-N
Formula
C39H22N6O14S3
Mass
894.81
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 Benzoic acid esters Arylsulfonic acids and derivatives Phenoxy compounds Benzoyl derivatives Phenoxides Organosulfonic acid esters Sulfonyls Carboxylic acid esters Organic diazonium salts Monocarboxylic acids and derivatives Organooxygen compounds Organopnictogen compounds Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Gallic acid or derivatives - Benzoate ester - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenoxide - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organic diazonium salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - 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