[2-(4-fluorophenyl)-6-propan-2-yl-phenyl] 5,6-diethoxy-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: [2-(4-fluorophenyl)-6-propan-2-yl-phenyl] 5,6-diethoxy-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: [2-(4-fluorophenyl)-6-isopropyl-phenyl] 5,6-diethoxy-3,5-dihydroxy-hept-6-enoate CAS Name: 5,6-diethoxy-3,5-dihydroxy-6-heptenoic acid [2-(4-fluorophenyl)-6-propan-2-ylphenyl] ester IUPAC Name: [2-(4-fluorophenyl)-6-propan-2-ylphenyl] 5,6-diethoxy-3,5-dihydroxyhept-6-enoate Traditional Name: 5,6-diethoxy-3,5-dihydroxy-hept-6-enoic acid [2-(4-fluorophenyl)-6-isopropyl-phenyl] ester Formula: C26H33FO6 MolecularWeight: 460.535023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C)C(CC(CC(=O)OC1=C(C=CC=C1C(C)C)C2=CC=C(C=C2)F)O)(O)OCC

Isomeric SMILES

CCOC(=C)C(CC(CC(=O)OC1=C(C=CC=C1C(C)C)C2=CC=C(C=C2)F)O)(O)OCC

InChI

InChI=1S/C26H33FO6/c1-6-31-18(5)26(30,32-7-2)16-21(28)15-24(29)33-25-22(17(3)4)9-8-10-23(25)19-11-13-20(27)14-12-19/h8-14,17,21,28,30H,5-7,15-16H2,1-4H3