3-methyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one

Systemtic Name: 3-methyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-5-methyl-cyclohexanone CAS Name: 3-methyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 3-methyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-5-methyl-cyclohexanone Formula: C29H40O2 MolecularWeight: 420.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(=O)C2)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(=O)C2)C)OCC3=CC=CC=C3

InChI

InChI=1S/C29H40O2/c1-5-6-7-11-16-29(3,4)25-14-15-27(24-17-22(2)18-26(30)19-24)28(20-25)31-21-23-12-9-8-10-13-23/h8-10,12-15,20,22,24H,5-7,11,16-19,21H2,1-4H3