Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)C1=CC=CC(NC2=NC(NC3=C4C(=O)\C(=N/NC5=C(C6=C(C=C5)C(=CC=C6)S([O-])(=O)=O)S([O-])(=O)=O)C(=CC4=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)=NC(Cl)=N2)=C1
InChIKey
InChIKey=NVNQRAOQGCJYDU-GWTDDJQGSA-I
Formula
C31H19ClN7Na5O19S6
Mass
1136.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-naphthalene sulfonates
-
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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenylhydrazines 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Aryl ketones Chloro-s-triazines Sulfuric acid monoesters Alkyl sulfates Aryl chlorides Vinylogous amides Sulfones Organosulfonic acids Heteroaromatic compounds Organic metal halides Hydrazones Azacyclic compounds Amines Organochlorides Hydrocarbon derivatives Organic sodium salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-diamine-s-triazine - Aryl ketone - Phenylhydrazine - Aniline or substituted anilines - Aminotriazine - Halo-s-triazine - Amino-1,3,5-triazine - Chloro-s-triazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfate-ester - Triazine - 1,3,5-triazine - Alkyl sulfate - Sulfuric acid ester - Sulfuric acid monoester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfone - Vinylogous amide - Sulfonyl - Heteroaromatic compound - Organic sulfuric acid or derivatives - Ketone - Organic metal halide - Azacycle - Hydrazone - Organic alkali metal salt - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organic sodium salt - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Amine - Organic salt - 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