Compound Identification
SMILES
COC1=C(OCC(N)=O)C=CC(C=NNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1
InChIKey
InChIKey=JYGYBRQOGJLVFB-UHFFFAOYSA-N
Formula
C20H19N3O5S
Mass
413.45
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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfonohydrazides Hydrazinosulfonyl compounds Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Hydrazinosulfonyl compound - Sulfonohydrazide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - 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