Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C(=O)C4=CC=CC5=C(CCN6C=C[N+](CCO)=C6)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=OMLDDVUUFBNIRN-KDVGALNQSA-O
Formula
C29H31N4O8S
Mass
595.65
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 Carbapenems Alpha amino acids and derivatives Benzothiazines Pyrroline carboxylic acids Azepines 1,2-thiazines N-substituted imidazoles Tertiary carboxylic acid amides Organosulfonic acids and derivatives Heteroaromatic compounds Azetidines Secondary alcohols Carboxylic acids Azacyclic compounds Alkanolamines Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Carbapenem - Alpha-amino acid or derivatives - Benzothiazine - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Ortho-thiazine - N-substituted imidazole - Heteroaromatic compound - Azole - Beta-lactam - Imidazole - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Secondary alcohol - Lactam - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic cation - 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