3-[(Z)-1-(1-adamantyl)-4-(3-bromophenyl)-5-oxidanyl-pent-3-en-2-yl]phenol

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrO2/c28-25-5-1-3-21(11-25)24(17-29)10-23(22-4-2-6-26(30)12-22)16-27-13-18-7-19(14-27)9-20(8-18)15-27/h1-6,10-12,18-20,23,29-30H,7-9,13-17H2/b24-10+