Compound Identification
SMILES
[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C4=CC=CC5=C(C[N+]67CC[N+](CC6)(CC7)C#CCO)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=MHTIOKCDHRATQL-PRFUMLIRSA-M
Formula
C31H35ClN4O7S
Mass
643.15
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 Aralkylamines N-alkylpiperazines Azepines Organosulfonamides Tetraalkylammonium salts Tertiary carboxylic acid amides Secondary alcohols Azetidines Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Carbapenem - Alpha-amino acid or derivatives - 1,2-benzothiazole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - N-alkylpiperazine - Aralkylamine - Azepine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Tetraalkylammonium salt - Beta-lactam - Pyrroline - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary alcohol - Carboxylic acid salt - Lactam - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Amine - 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