Compound Identification
SMILES
[Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=JUIMFYRDJBEJNL-HJOKIUIXSA-M
Formula
C21H19N2NaO6S
Mass
450.44
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 Benzothiazoles Pyrroline carboxylic acids Azepines Organosulfonamides Tertiary carboxylic acid amides Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Carbapenem - Alpha-amino acid or derivatives - 1,2-benzothiazole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Organosulfonic acid amide - Beta-lactam - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organooxygen compound - Alcohol - Organic salt - 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