Compound Identification
SMILES
[Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C(=O)C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=RVWZNNBJMJMVSI-HJOKIUIXSA-M
Formula
C22H19N2NaO7S
Mass
478.45
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
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 Tertiary carboxylic acid amides Organosulfonic acids and derivatives Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic sodium salts Carbonyl compounds
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 - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Beta-lactam - Secondary alcohol - Carboxamide group - Lactam - Carboxylic acid salt - Azetidine - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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