[3,5-bis(trifluoromethyl)phenyl]methyl 2-hex-5-enoxy-5-pent-4-ynoxy-benzoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-hex-5-enoxy-5-pent-4-ynoxy-benzoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-hex-5-enoxy-5-pent-4-ynoxy-benzoate CAS Name: 2-hex-5-enoxy-5-pent-4-ynoxybenzoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-hex-5-enoxy-5-pent-4-ynoxybenzoate Traditional Name: 2-hex-5-enoxy-5-pent-4-ynoxy-benzoic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C27H26F6O4 MolecularWeight: 528.483359

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCOC1=C(C=C(C=C1)OCCCC#C)C(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C=CCCCCOC1=C(C=C(C=C1)OCCCC#C)C(=O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H26F6O4/c1-3-5-7-9-13-36-24-11-10-22(35-12-8-6-4-2)17-23(24)25(34)37-18-19-14-20(26(28,29)30)16-21(15-19)27(31,32)33/h2-3,10-11,14-17H,1,5-9,12-13,18H2