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

Systemtic Name: 2-[(E)-but-2-enyl]-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-2-[(E)-but-2-enyl]cyclohexanone CAS Name: 2-[(E)-but-2-enyl]-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 2-[(E)-but-2-enyl]-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-2-[(E)-but-2-enyl]cyclohexanone Formula: C32H44O2 MolecularWeight: 460.69056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2CC=CC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2C/C=C/C)OCC3=CC=CC=C3

InChI

InChI=1S/C32H44O2/c1-5-7-9-13-22-32(3,4)26-20-21-29(27-18-14-19-30(33)28(27)17-8-6-2)31(23-26)34-24-25-15-11-10-12-16-25/h6,8,10-12,15-16,20-21,23,27-28H,5,7,9,13-14,17-19,22,24H2,1-4H3/b8-6+