(E)-4-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-bromanyl-phenyl]but-3-en-2-one

Systemtic Name: (E)-4-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-bromanyl-phenyl]but-3-en-2-one Openeye Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-bromo-phenyl]but-3-en-2-one CAS Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-bromophenyl]-3-buten-2-one IUPAC Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-bromophenyl]but-3-en-2-one Traditional Name: (E)-4-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-bromo-phenyl]but-3-en-2-one Formula: C26H27BrO2 MolecularWeight: 451.39538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

CC(=O)/C=C/C1=CC(=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C26H27BrO2/c1-16(28)2-3-17-4-6-22(24(27)11-17)21-5-7-25(29)23(12-21)26-13-18-8-19(14-26)10-20(9-18)15-26/h2-7,11-12,18-20,29H,8-10,13-15H2,1H3/b3-2+