Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C(CC2)NCC1CCC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC1)C1=CC=CC=C1
InChIKey
InChIKey=SNEXCXBEKQEUQX-UHFFFAOYSA-N
Formula
C35H40N2O3S
Mass
568.78
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 Tetralins Anisoles Aralkylamines Alkyl aryl ethers Organosulfonamides Benzene and substituted derivatives Aminosulfonyl compounds Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary amine - Ether - Secondary aliphatic amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen 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