Compound Identification
SMILES
CC(C)CN(CC1=CC(OS(C)(=O)=O)=CC=C1)S(=O)(=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=TXUWHMOGHCXLSS-UHFFFAOYSA-N
Formula
C22H25NO5S2
Mass
447.56
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 Phenoxy compounds Sulfonic acid esters Organosulfonic acid esters Organosulfonamides Methanesulfonates Aminosulfonyl compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Phenoxy compound - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid amide - Organosulfonic acid ester - Aminosulfonyl compound - Sulfonyl - Methanesulfonate - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organonitrogen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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