Compound Identification
SMILES
C[N+]1=CC(=CC2=C1N=C(\C=C\C=C1/N=C3N(CCCCCN4CCN(CCCCCC(O)=O)CC4)C=C(C=C3C1(C)C)C#CC1=CC=C(C=C1)S(O)(=O)=O)C2(C)C)C#CC1=CC=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=WVFYLNODXBGSLE-UHFFFAOYSA-O
Formula
C53H61N6O8S2
Mass
974.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds Pyrrolopyridines 1-sulfo,2-unsubstituted aromatic compounds Medium-chain fatty acids Dihydropyridines Heterocyclic fatty acids Amino fatty acids N-alkylpiperazines Imidolactams Pyridinium derivatives Sulfonyls Heteroaromatic compounds Pyrrolines Organosulfonic acids Ketimines Trialkylamines Amino acids Carboximidamides Monocarboxylic acids and derivatives Carboxamidines Azacyclic compounds Enamines Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - Pyrrolopyridine - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - Amino fatty acid - Dihydropyridine - N-alkylpiperazine - Heterocyclic fatty acid - Pyridine - Pyridinium - 1,4-diazinane - Piperazine - Fatty acyl - Imidolactam - Sulfonyl - Organosulfonic acid - Pyrroline - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Ketimine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Enamine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboximidamide - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Imine - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available