Compound Identification
SMILES
[Na+].CC(=O)Nc1ccc(c2ccc(\N=N\c3c(O)c(Cl)cc(Cl)c3Cl)c(O)c12)S([O-])(=O)=O
InChIKey
InChIKey=IIUJSCUJANTIPZ-XMXXDQCKSA-M
Formula
C18H11Cl3N3NaO6S
Mass
526.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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 Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds N-acetylarylamines P-chlorophenols M-chlorophenols O-chlorophenols 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Acetamides Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic metal halides Organic oxides Carbonyl compounds Organic sodium salts Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 1-naphthol - Arylsulfonic acid or derivatives - N-acetylarylamine - 1-sulfo,2-unsubstituted aromatic compound - 4-halophenol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - 4-chlorophenol - N-arylamide - Chlorobenzene - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Acetamide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Azo compound - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Carboxylic acid derivative - Organic metal halide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic sodium salt - Organosulfur compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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