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

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-prop-2-enyl-cyclohexan-1-one Openeye Name: 4-allyl-3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohexanone CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-prop-2-enyl-1-cyclohexanone IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-prop-2-enylcyclohexan-1-one Traditional Name: 4-allyl-3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohexanone Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42O2/c1-5-7-8-12-20-31(3,4)26-17-19-28(29-22-27(32)18-16-25(29)13-6-2)30(21-26)33-23-24-14-10-9-11-15-24/h6,9-11,14-15,17,19,21,25,29H,2,5,7-8,12-13,16,18,20,22-23H2,1,3-4H3