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

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-(2-oxidanylpropyl)cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-(2-hydroxypropyl)cyclohexanone CAS Name: 4-(2-hydroxypropyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 4-(2-hydroxypropyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-(2-hydroxypropyl)cyclohexanone Formula: C31H44O3 MolecularWeight: 464.67926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44O3/c1-5-6-7-11-18-31(3,4)26-15-17-28(29-21-27(33)16-14-25(29)19-23(2)32)30(20-26)34-22-24-12-9-8-10-13-24/h8-10,12-13,15,17,20,23,25,29,32H,5-7,11,14,16,18-19,21-22H2,1-4H3