3,4-dimethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one

Systemtic Name: 3,4-dimethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one Openeye Name: 5-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3,4-dimethyl-cyclohex-2-en-1-one CAS Name: 3,4-dimethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohex-2-enone IUPAC Name: 3,4-dimethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohex-2-en-1-one Traditional Name: 5-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-3,4-dimethyl-cyclohex-2-en-1-one Formula: C30H40O2 MolecularWeight: 432.6374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)C=C(C2C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)C=C(C2C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C30H40O2/c1-6-7-8-12-17-30(4,5)25-15-16-27(28-20-26(31)18-22(2)23(28)3)29(19-25)32-21-24-13-10-9-11-14-24/h9-11,13-16,18-19,23,28H,6-8,12,17,20-21H2,1-5H3