Compound Identification
SMILES
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CC=C12)C1=NOC(CC2=CC=CC=C2)(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=GMZLJEYNFLVOQR-GBSOHSSOSA-N
Formula
C37H35Cl2N3O9S
Mass
768.66
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 Delta amino acids and derivatives Beta amino acids and derivatives 2-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Dichlorobenzenes Gamma-keto acids and derivatives Monosaccharides Aryl chlorides Fatty amides Organosulfonamides Isoxazolines Aminosulfonyl compounds Vinylogous halides Ketones Secondary carboxylic acid amides Oxime ethers Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Oxacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Delta amino acid or derivatives - Beta amino acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Gamma-keto acid - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Keto acid - Fatty amide - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Organosulfonic acid amide - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Isoxazoline - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Ketone - Carboxamide group - Oxime ether - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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