2-(1-adamantyl)-4-[(E)-4-(3-bromophenyl)-5-oxidanyl-pent-3-enyl]phenol

Systemtic Name: 2-(1-adamantyl)-4-[(E)-4-(3-bromophenyl)-5-oxidanyl-pent-3-enyl]phenol Openeye Name: 2-(1-adamantyl)-4-[(E)-4-(3-bromophenyl)-5-hydroxy-pent-3-enyl]phenol CAS Name: 2-(1-adamantyl)-4-[(E)-4-(3-bromophenyl)-5-hydroxypent-3-enyl]phenol IUPAC Name: 2-(1-adamantyl)-4-[(E)-4-(3-bromophenyl)-5-hydroxypent-3-enyl]phenol Traditional Name: 2-(1-adamantyl)-4-[(E)-4-(3-bromophenyl)-5-hydroxy-pent-3-enyl]phenol Formula: C27H31BrO2 MolecularWeight: 467.43784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrO2/c28-24-6-2-4-22(13-24)23(17-29)5-1-3-18-7-8-26(30)25(12-18)27-14-19-9-20(15-27)11-21(10-19)16-27/h2,4-8,12-13,19-21,29-30H,1,3,9-11,14-17H2/b23-5-