Compound Identification
SMILES
[H+].[Na+].[Cu++].CC1=CC(N=NC2=CC(=C(NC3=CC=CC=C3)C=C2)S([O-])(=O)=O)=C(NS(C)(=O)=O)C=C1N=NC1=C(O)C(N=NC2=CC=CC=C2)=C([O-])C(=C1)N=NC1=C2C=CC(=CC2=C(C=C1[O-])S([O-])(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=PTXDUWIFJGIUPT-UHFFFAOYSA-K
Formula
C42H30CuN11NaO13S3
Mass
1079.48
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 Azobenzenes Nitronaphthalenes Sulfanilides Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines Nitroaromatic compounds Toluenes Phenoxides Phenols Primary aromatic amines Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Organosulfonic acids Azo compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxides Hydrocarbon derivatives Organic sodium salts Organooxygen compounds Organic copper salts Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-nitronaphthalene - Sulfanilide - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Aniline or substituted anilines - Phenol - Phenoxide - Toluene - Monocyclic benzene moiety - Primary aromatic amine - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - Azo compound - C-nitro compound - Organic alkali metal salt - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic transition metal salt - Allyl-type 1,3-dipolar organic compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic copper salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic sodium salt - 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