3-(1-adamantyl)-4-[(E)-5-oxidanyl-4-[3-(trifluoromethyl)phenyl]pent-3-enyl]phenol

Systemtic Name: 3-(1-adamantyl)-4-[(E)-5-oxidanyl-4-[3-(trifluoromethyl)phenyl]pent-3-enyl]phenol Openeye Name: 3-(1-adamantyl)-4-[(E)-5-hydroxy-4-[3-(trifluoromethyl)phenyl]pent-3-enyl]phenol CAS Name: 3-(1-adamantyl)-4-[(E)-5-hydroxy-4-[3-(trifluoromethyl)phenyl]pent-3-enyl]phenol IUPAC Name: 3-(1-adamantyl)-4-[(E)-5-hydroxy-4-[3-(trifluoromethyl)phenyl]pent-3-enyl]phenol Traditional Name: 3-(1-adamantyl)-4-[(E)-5-hydroxy-4-[3-(trifluoromethyl)phenyl]pent-3-enyl]phenol Formula: C28H31F3O2 MolecularWeight: 456.53975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31F3O2/c29-28(30,31)24-6-2-4-22(12-24)23(17-32)5-1-3-21-7-8-25(33)13-26(21)27-14-18-9-19(15-27)11-20(10-18)16-27/h2,4-8,12-13,18-20,32-33H,1,3,9-11,14-17H2/b23-5-