[(Z)-1,2-bis(fluoranyl)-4-(4-propylphenyl)but-1-en-3-ynyl] 4-methylbenzoate

Systemtic Name: [(Z)-1,2-bis(fluoranyl)-4-(4-propylphenyl)but-1-en-3-ynyl] 4-methylbenzoate Openeye Name: [(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl] ester IUPAC Name: [(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(Z)-1,2-difluoro-4-(4-propylphenyl)but-1-en-3-ynyl] ester Formula: C21H18F2O2 MolecularWeight: 340.363226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC(=C(OC(=O)C2=CC=C(C=C2)C)F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C#C/C(=C(\OC(=O)C2=CC=C(C=C2)C)/F)/F

InChI

InChI=1S/C21H18F2O2/c1-3-4-16-7-9-17(10-8-16)11-14-19(22)20(23)25-21(24)18-12-5-15(2)6-13-18/h5-10,12-13H,3-4H2,1-2H3/b20-19+