Compound Identification
SMILES
COC(=O)C1=C(Cl)C=CC(NS(=O)(=O)C2=CC3=C(C=CC(NC(SC)=NC4=CC5=C(C=C4)C=CC(=C5)S(=O)(=O)NC4=CC(C(=O)OC)=C(Cl)C=C4)=C3)C=C2)=C1
InChIKey
InChIKey=AABFMMVSPCTKNP-UHFFFAOYSA-N
Formula
C38H30Cl2N4O8S3
Mass
837.76
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 2-halobenzoic acids and derivatives Sulfanilides Benzoic acid esters Benzoyl derivatives Chlorobenzenes Aryl chlorides Organosulfonamides Vinylogous halides Aminosulfonyl compounds Methyl esters Isothioureas Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - Benzoate ester - Sulfanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aminosulfonyl compound - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Carboxylic acid ester - Isothiourea - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic 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