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

Systemtic Name: 3-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3-methyl-cyclohexanone CAS Name: 3-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 3-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-3-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)C2(CCCC(=O)C2)C)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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