Compound Identification
SMILES
CCN1C2=C(C=C(OS(O)=O)C=C2)C(C)(C)\C1=C/C=C/C1=[N+](CCCCCC(O)=O)C2=C(C=C(C=C2)S(O)(=O)=O)C1(C)C
InChIKey
InChIKey=NDWHMBDIVYGDDN-UHFFFAOYSA-O
Formula
C31H39N2O8S2
Mass
631.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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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
1-sulfo,2-unsubstituted aromatic compounds Medium-chain fatty acids Heterocyclic fatty acids Benzenoids Sulfonyls Organosulfonic acids Tertiary amines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Enamines Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - Heterocyclic fatty acid - Benzenoid - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Amine - Carbonyl group - Organic nitrogen 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