Compound Identification
SMILES
[Na+].[Na+].[Na+].COC1=C(NC(=O)NC2=CC(C)=C(C=C2)N=NC2=CC(=C3C=CC=C(C3=C2)S([O-])(=O)=O)S([O-])(=O)=O)C=CC(=C1)N=NC1=CC(=CC=C1)S([O-])(=O)=O
InChIKey
InChIKey=ANYFCNHZKDSDER-UHFFFAOYSA-K
Formula
C31H23N6Na3O11S3
Mass
820.71
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 Azobenzenes Benzenesulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Toluenes Organosulfonic acids Sulfonyls Azo compounds Ureas Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Benzenesulfonate - N-phenylurea - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Azo compound - Urea - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - 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