Compound Identification
SMILES
OC(=O)C(=O)NC1=C(C=C(CNS(=O)(=O)C2=CC=CC3=CC=CC=C23)S1)C(O)=O
InChIKey
InChIKey=JXKMWCSCJMZABT-UHFFFAOYSA-N
Formula
C18H14N2O7S2
Mass
434.44
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 Alpha amino acids and derivatives Thiophene carboxylic acids N-arylamides 2,3,5-trisubstituted thiophenes Organosulfonamides Vinylogous amides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-arylamide - 2,3,5-trisubstituted thiophene - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Thiophene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic 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