Compound Identification
SMILES
[Br-].COCC12C[NH+](C)[C@@H]3C4C(OC)[C@H]1C3([C@@H]1C[C@H]3C(OC(=O)C5=CC=CC=C5)[C@]1(O)[C@]4(O)C(O)[C@@H]3OC)C(CC2O)OC
InChIKey
InChIKey=VAPYWLUYCRXGCT-FVBANPRKSA-N
Formula
C31H44BrNO10
Mass
670.594
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 Tertiary alcohols Amino acids and derivatives Trialkylamines Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Polyols Hydrocarbon derivatives Organic bromide salts Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Quinolidine - Benzoyl - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Organic bromide salt - Organopnictogen compound - Organic oxide - 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