Compound Identification
SMILES
COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NS(=O)(=O)C3=CC=CC4=CC=CC=C34)C=C2)=C1
InChIKey
InChIKey=WJKQAVLLNQYCFP-UHFFFAOYSA-N
Formula
C22H20N4O6S2
Mass
500.54
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 Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen 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