(E)-5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-(3-bromophenyl)pent-2-enoic acid

Systemtic Name: (E)-5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-(3-bromophenyl)pent-2-enoic acid Openeye Name: (E)-5-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-(3-bromophenyl)pent-2-enoic acid CAS Name: (E)-5-[3-(1-adamantyl)-4-hydroxyphenyl]-2-(3-bromophenyl)-2-pentenoic acid IUPAC Name: (E)-5-[3-(1-adamantyl)-4-hydroxyphenyl]-2-(3-bromophenyl)pent-2-enoic acid Traditional Name: (E)-5-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-(3-bromophenyl)pent-2-enoic acid Formula: C27H29BrO3 MolecularWeight: 481.42136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrO3/c28-22-5-2-4-21(13-22)23(26(30)31)6-1-3-17-7-8-25(29)24(12-17)27-14-18-9-19(15-27)11-20(10-18)16-27/h2,4-8,12-13,18-20,29H,1,3,9-11,14-16H2,(H,30,31)/b23-6+