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

Systemtic Name: 4-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]butan-2-one Openeye Name: 4-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]butan-2-one CAS Name: 4-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-2-butanone IUPAC Name: 4-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]butan-2-one Traditional Name: 4-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]butan-2-one Formula: C26H36O2 MolecularWeight: 380.56284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36O2/c1-5-6-7-11-18-26(3,4)24-17-16-23(15-14-21(2)27)25(19-24)28-20-22-12-9-8-10-13-22/h8-10,12-13,16-17,19H,5-7,11,14-15,18,20H2,1-4H3