3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-(3-oxidanyl-2-oxidanylidene-propyl)cyclohexan-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-(3-oxidanyl-2-oxidanylidene-propyl)cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-(3-hydroxy-2-oxo-propyl)cyclohexanone CAS Name: 4-(3-hydroxy-2-oxopropyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 4-(3-hydroxy-2-oxopropyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-(3-hydroxy-2-keto-propyl)cyclohexanone Formula: C31H42O4 MolecularWeight: 478.66278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42O4/c1-4-5-6-10-17-31(2,3)25-14-16-28(30(19-25)35-22-23-11-8-7-9-12-23)29-20-26(33)15-13-24(29)18-27(34)21-32/h7-9,11-12,14,16,19,24,29,32H,4-6,10,13,15,17-18,20-22H2,1-3H3