Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].COC1=C(NC(=O)NC2=C(OC)C=C(N=NC3=C4C=CC(=CC4=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C2OC)C(OC)=C(C)C(=C1)N=NC1=C2C=CC(=CC2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=RANIZIWYBGWVJM-UHFFFAOYSA-J
Formula
C39H32N6Na4O17S4
Mass
1076.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 2-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
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Dimethoxybenzenes N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Anisoles Toluenes Alkyl aryl ethers Sulfonyls Organosulfonic acids Azo compounds Ureas Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic sodium salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - N-phenylurea - M-dimethoxybenzene - Dimethoxybenzene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Azo compound - Urea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Ether - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available