Compound Identification
SMILES
CC(C)(C1=CC=CC=C1)C1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3O)C=C1
InChIKey
InChIKey=XJLAJXCQFPDESO-UHFFFAOYSA-O
Formula
C25H21N2O4S
Mass
445.51
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 Naphthols and derivatives Phenylpropanes Arylsulfonic acids and derivatives Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Organosulfonic acid esters Sulfonyls Organic diazonium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Diphenylmethane - 1-naphthol - Arylsulfonic acid or derivatives - Phenylpropane - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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