Compound Identification
SMILES
C=CC1=CC=CC=C1.[O-]C1=C(C=CC2=C1C=CC=C2S(=O)(=O)NC1=CC=C(C=C)C=C1)[N+]#N
InChIKey
InChIKey=XIBXPSMNAJXFBO-UHFFFAOYSA-N
Formula
C26H21N3O3S
Mass
455.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Sulfanilides Styrenes Phenoxides Organosulfonamides Aromatic hydrocarbons Aminosulfonyl compounds Organic diazonium salts Cyclic olefins Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Sulfanilide - Styrene - Phenoxide - Monocyclic benzene moiety - Organosulfonic acid amide - Aromatic hydrocarbon - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic diazonium salt - Cyclic olefin - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Unsaturated hydrocarbon - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available