3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-[(E)-pent-2-enyl]cyclohexan-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-[(E)-pent-2-enyl]cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-[(E)-pent-2-enyl]cyclohexanone CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-[(E)-pent-2-enyl]-1-cyclohexanone IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-[(E)-pent-2-enyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-[(E)-pent-2-enyl]cyclohexanone Formula: C33H46O2 MolecularWeight: 474.71714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CC=CCC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2C/C=C/CC)OCC3=CC=CC=C3

InChI

InChI=1S/C33H46O2/c1-5-7-9-14-22-33(3,4)28-19-21-30(32(23-28)35-25-26-15-12-10-13-16-26)31-24-29(34)20-18-27(31)17-11-8-6-2/h8,10-13,15-16,19,21,23,27,31H,5-7,9,14,17-18,20,22,24-25H2,1-4H3/b11-8+