Compound Identification
SMILES
CC([O-])O[C@H](C)[C@@H]1[C@H]2C3CCC[C@H](N4C5=CC=CC6=C(CC[N+]78CC[N+](CC(N)=O)(CC7)CC8)C=CC(=C56)S4(=O)=O)C3=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=HRMIADVRVXQMAO-WAPWCMFWSA-N
Formula
C35H43N5O8S
Mass
693.82
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 acid amides Carbapenems N-piperazineacetamides Phenethylamines Benzothiazoles Isoindoles Pyrroline carboxylic acids Aralkylamines Azepines N-alkylpiperazines Organosulfonamides Tetraalkylammonium salts Tertiary carboxylic acid amides Primary carboxylic acid amides Azetidines Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Alkoxides Organic oxides Organic salts Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Alpha-amino acid amide - Carbapenem - Alpha-amino acid or derivatives - N-piperazineacetamide - Phenethylamine - 1,2-benzothiazole - Isoindole or derivatives - Isoindole - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Aralkylamine - N-alkylpiperazine - Organosulfonic acid amide - Piperazine - 1,4-diazinane - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Pyrroline - Beta-lactam - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Alkoxide - Organic oxide - Organonitrogen compound - 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