Compound Identification
SMILES
OC(=O)C1=C(O)C(=O)N=C(N1)C1=C(NS(=O)(=O)C2=CC3=C(C=C2)C(Cl)=CC=C3)C=CC(Cl)=C1
InChIKey
InChIKey=NCBFQGXZGDEZTC-UHFFFAOYSA-N
Formula
C21H13Cl2N3O6S
Mass
506.31
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 Chlorobenzenes Pyrimidones Hydroxypyrimidines Aryl chlorides Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Vinylogous acids Vinylogous amides Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - Sulfanilide - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Hydroxypyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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