(2E,4E)-7-[4-[1-adamantyl(phenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid

Systemtic Name: (2E,4E)-7-[4-[1-adamantyl(phenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Openeye Name: (2E,4E)-7-[4-[1-adamantyl(phenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid CAS Name: (2E,4E)-7-[4-[1-adamantyl(phenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid IUPAC Name: (2E,4E)-7-[4-[1-adamantyl(phenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Traditional Name: (2E,4E)-7-[4-[1-adamantyl(phenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Formula: C37H37F3O3 MolecularWeight: 586.68309

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C4=CC=CC=C4)OC5=CC=C(C=C5)CCC=C(C=CC(=O)O)C6=CC(=CC=C6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C4=CC=CC=C4)OC5=CC=C(C=C5)CC/C=C(\C=C\C(=O)O)/C6=CC(=CC=C6)C(F)(F)F

InChI

InChI=1S/C37H37F3O3/c38-37(39,40)32-11-5-10-31(21-32)29(14-17-34(41)42)9-4-6-25-12-15-33(16-13-25)43-35(30-7-2-1-3-8-30)36-22-26-18-27(23-36)20-28(19-26)24-36/h1-3,5,7-17,21,26-28,35H,4,6,18-20,22-24H2,(H,41,42)/b17-14+,29-9+