(E)-5-(1-adamantyl)-2-(3-bromophenyl)-4-(3-hydroxyphenyl)pent-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrO3/c28-23-5-1-4-21(10-23)25(26(30)31)12-22(20-3-2-6-24(29)11-20)16-27-13-17-7-18(14-27)9-19(8-17)15-27/h1-6,10-12,17-19,22,29H,7-9,13-16H2,(H,30,31)/b25-12+