3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohex-2-en-1-one CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohex-2-enone IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohex-2-en-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohex-2-en-1-one Formula: C28H36O2 MolecularWeight: 404.58424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC(=O)CCC2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC(=O)CCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H36O2/c1-4-5-6-10-18-28(2,3)24-16-17-26(23-14-11-15-25(29)19-23)27(20-24)30-21-22-12-8-7-9-13-22/h7-9,12-13,16-17,19-20H,4-6,10-11,14-15,18,21H2,1-3H3