Structure Information
Structure

Compound Identification

SMILES

C[C@@H](SC1COC(OC1)\C=C\C=C\C1=C(F)C=C(C=C1)C#N)[C@@](CN1C=NC=N1)(OC(=O)C1=C(COP(O)(O)=O)C=CC(F)=C1)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=WVPOAKBLYJEMDA-XLPCXOLRSA-N

Formula

C35H31F4N4O8PS

Mass

774.68

Export to:

JSON SDF CSV

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

3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoate ester - Phenylpropane - Styrene - Benzoyl - Benzonitrile - Fluorobenzene - Monoalkyl phosphate - Halobenzene - Alkyl phosphate - Aryl halide - Aryl fluoride - Organic phosphoric acid derivative - Phosphoric acid ester - Meta-dioxane - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid ester - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Organopnictogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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

Previous Back Next