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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)OCC3=CC=CC=C3

InChI

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