Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(CN[N+]1(CCCC1)S(=O)(=O)C1=CC3=C(C=C1)C=C(Cl)C=C3)S2
InChIKey
InChIKey=MCWBJUIDKQLHGR-UHFFFAOYSA-N
Formula
C27H33ClN3O4S2
Mass
563.15
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
Chloronaphthalenes Thienopyridines 2,3,5-trisubstituted thiophenes Sulfonohydrazides Pyridines and derivatives Aryl chlorides Sulfonyls Pyrrolidines Carbamate esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - Thienopyridine - 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Pyridine - Sulfonohydrazide - Pyrrolidine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Thiophene - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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