(E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-phenyl]but-3-en-2-one

Systemtic Name: (E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-phenyl]but-3-en-2-one Openeye Name: (E)-4-[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-chloro-phenyl]but-3-en-2-one CAS Name: (E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]-3-buten-2-one IUPAC Name: (E)-4-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chlorophenyl]but-3-en-2-one Traditional Name: (E)-4-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-chloro-phenyl]but-3-en-2-one Formula: C33H33ClO2 MolecularWeight: 497.06692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC(=O)/C=C/C1=CC(=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C33H33ClO2/c1-22(35)7-8-23-9-11-29(31(34)16-23)28-10-12-32(36-21-24-5-3-2-4-6-24)30(17-28)33-18-25-13-26(19-33)15-27(14-25)20-33/h2-12,16-17,25-27H,13-15,18-21H2,1H3/b8-7+