1-[3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-oxidanyl-cyclohexyl]-3-oxidanyl-propan-2-one

Systemtic Name: 1-[3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-oxidanyl-cyclohexyl]-3-oxidanyl-propan-2-one Openeye Name: 1-[3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-1-hydroxy-cyclohexyl]-3-hydroxy-propan-2-one CAS Name: 1-hydroxy-3-[1-hydroxy-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexyl]-2-propanone IUPAC Name: 1-hydroxy-3-[1-hydroxy-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexyl]propan-2-one Traditional Name: 1-[3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-1-hydroxy-cyclohexyl]-3-hydroxy-acetone Formula: C31H44O4 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)(CC(=O)CO)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)(CC(=O)CO)O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H44O4/c1-4-5-6-10-17-30(2,3)26-15-16-28(29(19-26)35-23-24-12-8-7-9-13-24)25-14-11-18-31(34,20-25)21-27(33)22-32/h7-9,12-13,15-16,19,25,32,34H,4-6,10-11,14,17-18,20-23H2,1-3H3