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
Taxonomic Classification
Taxonomy Tree
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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
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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
Benzoyl derivatives Benzylamines Secondary alkylarylamines 2,4-disubstituted thiazoles Bromobenzenes Phosphonic acid esters 2-amino-1,3-thiazoles Aryl bromides Carbonic acid diesters Organic phosphonic acids Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides Organophosphorus compounds Organopnictogen compounds
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