Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].OCCNCCO.CC1=C(C=CC(NC(=O)NC2=CC(C)=C(C=C2)N=NC2=CC3=C(C=C(C=C3C=C2)S([O-])(=O)=O)S([O-])(=O)=O)=C1)N=NC1=CC2=C(C=C(C=C2C=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=GKGJFRUPDXWSJF-UHFFFAOYSA-J
Formula
C39H35N7Na4O15S4
Mass
1061.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-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
2-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Toluenes Organosulfonic acids Sulfonyls 1,2-aminoalcohols Azo compounds Ureas Dialkylamines Propargyl-type 1,3-dipolar organic compounds Primary alcohols Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - N-phenylurea - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - 1,2-aminoalcohol - Azo compound - Urea - Alkanolamine - Secondary aliphatic amine - Organic alkali metal salt - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic sodium salt - Organic salt - 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