Compound Identification
SMILES
OC(=O)C1=C(O)C(=O)N=C(N1)C1=CSC=C1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=MFHAXLBYCXFUGR-UHFFFAOYSA-N
Formula
C19H13N3O6S2
Mass
443.45
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 Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids Hydroxypyrimidines Pyrimidones Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Vinylogous acids Thiophenes Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Vinylogous amide - Vinylogous acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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