tert-butyl (6E)-8-cyclohexyl-9,9-bis(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-nona-6,8-dienoate

Systemtic Name: tert-butyl (6E)-8-cyclohexyl-9,9-bis(4-fluorophenyl)-5-oxidanyl-3-oxidanylidene-nona-6,8-dienoate Openeye Name: tert-butyl (6E)-8-cyclohexyl-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxo-nona-6,8-dienoate CAS Name: (6E)-8-cyclohexyl-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxonona-6,8-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (6E)-8-cyclohexyl-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxonona-6,8-dienoate Traditional Name: (6E)-8-cyclohexyl-9,9-bis(4-fluorophenyl)-5-hydroxy-3-keto-nona-6,8-dienoic acid tert-butyl ester Formula: C31H36F2O4 MolecularWeight: 510.611946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)CC(C=CC(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C3CCCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)CC(/C=C/C(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C3CCCCC3)O

InChI

InChI=1S/C31H36F2O4/c1-31(2,3)37-29(36)20-27(35)19-26(34)17-18-28(21-7-5-4-6-8-21)30(22-9-13-24(32)14-10-22)23-11-15-25(33)16-12-23/h9-18,21,26,34H,4-8,19-20H2,1-3H3/b18-17+