Compound Identification
SMILES
OC(=O)C1=C(O)C(=O)N=C(N1)C1=CC=CC=C1NS(=O)(=O)C1=CC2=C(C=C1)C(Cl)=CC=C2
InChIKey
InChIKey=XCTAQXFLJOUDHW-UHFFFAOYSA-N
Formula
C21H14ClN3O6S
Mass
471.87
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Chloronaphthalenes Sulfanilides Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids Hydroxypyrimidines Pyrimidones Organosulfonamides Aryl chlorides Vinylogous amides Heteroaromatic compounds Vinylogous acids Aminosulfonyl compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Chloronaphthalene - Sulfanilide - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Hydroxypyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available