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

Systemtic Name: 4-(2-hydroxyethyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-(2-hydroxyethyl)cyclohexanone CAS Name: 4-(2-hydroxyethyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: 4-(2-hydroxyethyl)-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-(2-hydroxyethyl)cyclohexanone Formula: C30H42O3 MolecularWeight: 450.65268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CCO)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CCO)OCC3=CC=CC=C3

InChI

InChI=1S/C30H42O3/c1-4-5-6-10-18-30(2,3)25-14-16-27(28-21-26(32)15-13-24(28)17-19-31)29(20-25)33-22-23-11-8-7-9-12-23/h7-9,11-12,14,16,20,24,28,31H,4-6,10,13,15,17-19,21-22H2,1-3H3