Compound Identification
SMILES
[Na+].[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=C(C=CC(NC2=NC(Cl)=NC(N)=N2)=C1)S([O-])(=O)=O)C1=CC(=C2C=CC=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=AAMYCVULITZDFH-UHFFFAOYSA-K
Formula
C23H15ClN9Na3O10S3
Mass
778.03
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
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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 Alpha amino acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Chloro-s-triazines Pyrazolones Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic metal halides Primary amines Organic oxides Organic sodium salts Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Alpha-amino acid or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Chloro-s-triazine - Halo-s-triazine - Triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Pyrazolinone - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid - Pyrazoline - Sulfonyl - Amino acid or derivatives - Azo compound - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic sodium salt - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic salt - Hydrocarbon derivative - Amine - Organic cation - Aromatic heteropolycyclic 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