Compound Identification
SMILES
[Cl-].CC[NH+]1CC2(COC)[C@H]3C(OC)C4[C@@H]1C3([C@@H]1CC3(O)C(OC(=O)C5=CC=CC=C5)C1[C@]4(OC(C)=O)C(O)C3OC)C(CC2O)OC
InChIKey
InChIKey=GTRQCTQDPIUIMX-HUZDBUHLSA-N
Formula
C34H48ClNO11
Mass
682.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Quinolidines Benzoyl derivatives Azepanes Piperidines Dicarboxylic acids and derivatives Tertiary alcohols Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Cyclic alcohols and derivatives Polyols Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Organic zwitterions Organic chloride salts Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Quinolidine - Benzoyl - Azepane - Dicarboxylic acid or derivatives - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Polyol - Organic chloride salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available