Compound Identification
SMILES
CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS(O)(=O)=O)C4=CC=CC=C4C3(C)C)=C2C2=CC=C(C=C2)C(O)=O)N(CCCCS(O)(=O)=O)C2=C1C=C(C=C2)S(O)(=O)=O
InChIKey
InChIKey=SMKKDCNGDGKCBH-UHFFFAOYSA-O
Formula
C45H53N2O11S3
Mass
894.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
-
Subclass
Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
Benzoic acids 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Benzoyl derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Amino acids Enamines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available