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
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
3-halobenzoic acids and derivatives Benzyloxycarbonyls Phenylpropanes Benzonitriles Styrenes Benzoyl derivatives Fluorobenzenes Monoalkyl phosphates 1,3-dioxanes Aryl fluorides Triazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Nitriles Acetals Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
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