Compound Identification
SMILES
O=C=NC1=CC=C(CC2=CC=C(C=C2)N=C=O)C=C1.[O-]C1=C(C=CC2=C1C=CC=C2S(=O)(=O)OC1=CC=CC=C1)[N+]#N
InChIKey
InChIKey=FCAITJKVOGUZTP-UHFFFAOYSA-N
Formula
C31H20N4O6S
Mass
576.58
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 Diphenylmethanes Arylsulfonic acids and derivatives Phenoxy compounds Phenoxides Organosulfonic acid esters Sulfonyls Organic diazonium salts Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Diphenylmethane - Arylsulfonic acid or derivatives - Phenoxy compound - Phenoxide - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Isocyanate - Organic diazonium salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen 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