Compound Identification
SMILES
[Na+].C[C@H](O)C1C2SC(CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=LNLZRYJAQFUQNO-SMPGBHRRSA-M
Formula
C19H15N2NaO6S2
Mass
454.45
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 Alpha amino acids and derivatives Benzothiazoles Penems Thiazolecarboxylic acids and derivatives Vinylogous thioesters Organosulfonamides Thiazolines Tertiary carboxylic acid amides Thioenol ethers Azetidines Carboxylic acid salts Secondary alcohols Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives 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 - Alpha-amino acid or derivatives - 1,2-benzothiazole - Thiazolecarboxylic acid or derivatives - Penem - Organosulfonic acid amide - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thioenolether - Secondary alcohol - Lactam - Carboxylic acid salt - Carboxamide group - Azetidine - Azacycle - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hemithioaminal - Organic sodium salt - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - 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