Compound Identification
SMILES
OC1=C(N=NC2=CC=C(C=C2)[N+]([O-])=O)C(O)=C(C=C1N=NC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O)N=NC1=C2C(O)=C(N=NC3=CC=C(C=C3)[N+]([O-])=O)C(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=CBLQLXHBYNTRQA-UHFFFAOYSA-N
Formula
C34H20N12O18S2
Mass
948.72
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
-
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
2-naphthalene sulfonic acids and derivatives Azobenzenes Dinitrophenols Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Nitrobenzenes Nitroaromatic compounds Resorcinols 1-hydroxy-4-unsubstituted benzenoids Organosulfonic acids Sulfonyls Azo compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Dinitrophenol - 1-naphthol - Nitrophenol - Nitrobenzene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Resorcinol - Nitroaromatic compound - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Azo compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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