Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].COC1=C(NC2=NC(NC3=C(C)C=CC=C3NC3=NC(NC4=C(OC)C=C(N=NC5=CC(=C6C=CC=C(C6=C5)S([O-])(=O)=O)S([O-])(=O)=O)C(NC(C)=O)=C4)=NC(Cl)=N3)=NC(Cl)=N2)C=C(NC(C)=O)C(=C1)N=NC1=CC(=C2C=CC=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=ULDCNFPXBJQPOY-UHFFFAOYSA-J
Formula
C51H38Cl2N16Na4O16S4
Mass
1422.06
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
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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 Acetanilides Diaminotoluenes Methoxyanilines 1-sulfo,2-unsubstituted aromatic compounds N-acetylarylamines Anisoles Phenoxy compounds Methoxybenzenes 1,3,5-triazine-2,4-diamines Alkyl aryl ethers Chloro-s-triazines Aryl chlorides Organosulfonic acids Heteroaromatic compounds Sulfonyls Acetamides Secondary carboxylic acid amides Amino acids and derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Azacyclic compounds Organic metal halides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Acetanilide - Diaminotoluene - Anilide - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - N-acetylarylamine - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Aniline or substituted anilines - 2,4-diamine-s-triazine - Phenoxy compound - Alkyl aryl ether - Toluene - Aminotriazine - Amino-1,3,5-triazine - Halo-s-triazine - Chloro-s-triazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Acetamide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxamide group - Amino acid or derivatives - Azo compound - Secondary carboxylic acid amide - Secondary amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic alkali metal salt - Organic metal halide - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic sodium salt - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - 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