Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)OC(C)OC(=O)C1=CC=C(C=C1)C1=CSC(NCC2=CC(Br)=C(C=C2)C(F)(F)P(O)(=O)OC(C)OC(=O)OC(C)C)=N1

InChIKey

InChIKey=LXTZLMVOVDHOGL-UHFFFAOYSA-N

Formula

C30H34BrF2N2O11PS

Mass

779.54

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - Benzoyl - Benzylamine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Carbonic acid diester - Aryl halide - Aryl bromide - Phosphonic acid ester - 1,3-thiazol-2-amine - Azole - Organophosphonic acid derivative - Organophosphonic acid - Heteroaromatic compound - Thiazole - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Organic oxide - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organobromide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic 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

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