4-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]pentan-2-one

Systemtic Name: 4-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]pentan-2-one Openeye Name: 4-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]pentan-2-one CAS Name: 4-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-2-pentanone IUPAC Name: 4-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]pentan-2-one Traditional Name: 4-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]pentan-2-one Formula: C27H38O2 MolecularWeight: 394.58942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C(C)CC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C(C)CC(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C27H38O2/c1-6-7-8-12-17-27(4,5)24-15-16-25(21(2)18-22(3)28)26(19-24)29-20-23-13-10-9-11-14-23/h9-11,13-16,19,21H,6-8,12,17-18,20H2,1-5H3