Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].COC1=C(NC(=O)NC2=C(OC)C=C(N=NC3=CC(=C4C=CC=C(C4=C3)S([O-])(=O)=O)S([O-])(=O)=O)C(C)=C2)C=C(C)C(=C1)N=NC1=CC(=C2C=CC=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=JQRFOMXXFJIGMQ-UHFFFAOYSA-J
Formula
C37H28N6Na4O15S4
Mass
1016.86
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 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 N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Sulfonyls Organosulfonic acids Azo compounds Ureas Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - N-phenylurea - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azo compound - Organic alkali metal salt - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic sodium salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - 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