Compound Identification
SMILES
COCC[N+]1=C(C=CC=CC=C2N(C3=C(C=C(C=C3)S(O)(=O)=O)C2(C)CCCS(O)(=O)=O)C(C)(C)COC(C)(C)CCC(=O)ON2C(=O)CCC2=O)C(C)(CCCS(O)(=O)=O)C2=C1C=CC(=C2)S(=O)(=O)OC
InChIKey
InChIKey=JBQMNEZDYRJWMS-UHFFFAOYSA-O
Formula
C47H64N3O18S4
Mass
1087.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
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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 Tertiary alkylarylamines Pyrrolidine-2-ones Organosulfonic acid esters Benzenoids Sulfonyls Organosulfonic acids Dicarboximides Alkanesulfonic acids Lactams Carboxylic acid salts Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Tertiary aliphatic/aromatic amine - Benzenoid - Organosulfonic acid ester - 2-pyrrolidone - Pyrrolidone - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Dicarboximide - Tertiary amine - Lactam - Carboxylic acid salt - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Ether - Enamine - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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