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

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclooctan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclooctanone CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclooctanone IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclooctan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclooctanone Formula: C30H42O2 MolecularWeight: 434.65328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCCCC(=O)C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCCCC(=O)C2)OCC3=CC=CC=C3

InChI

InChI=1S/C30H42O2/c1-4-5-6-13-20-30(2,3)26-18-19-28(25-16-11-8-12-17-27(31)21-25)29(22-26)32-23-24-14-9-7-10-15-24/h7,9-10,14-15,18-19,22,25H,4-6,8,11-13,16-17,20-21,23H2,1-3H3