Compound Identification
SMILES
OC1=C(O)C=C(C=C1)C(=O)OCC#CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=LYBMEDILCPMCKX-UHFFFAOYSA-N
Formula
C28H20N2O6S2
Mass
544.6
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 p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Hydroxybenzoic acid derivatives Benzimidazoles Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Organosulfonic acids and derivatives Sulfonyls Carboxylic acid esters Sulfenyl compounds 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 - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Benzoic acid or derivatives - Benzimidazole - Benzoyl - Catechol - Aryl thioether - Phenol - Alkylarylthioether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Thioether - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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