2-butyl-4-hexanoyl-3,5-bis(4-methylphenyl)cyclohexan-1-one

Systemtic Name: 2-butyl-4-hexanoyl-3,5-bis(4-methylphenyl)cyclohexan-1-one Openeye Name: 2-butyl-4-hexanoyl-3,5-bis(p-tolyl)cyclohexanone CAS Name: 2-butyl-3,5-bis(4-methylphenyl)-4-(1-oxohexyl)-1-cyclohexanone IUPAC Name: 2-butyl-4-hexanoyl-3,5-bis(4-methylphenyl)cyclohexan-1-one Traditional Name: 2-butyl-4-caproyl-3,5-bis(p-tolyl)cyclohexanone Formula: C30H40O2 MolecularWeight: 432.6374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1C(CC(=O)C(C1C2=CC=C(C=C2)C)CCCC)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC(=O)C1C(CC(=O)C(C1C2=CC=C(C=C2)C)CCCC)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H40O2/c1-5-7-9-11-27(31)30-26(23-16-12-21(3)13-17-23)20-28(32)25(10-8-6-2)29(30)24-18-14-22(4)15-19-24/h12-19,25-26,29-30H,5-11,20H2,1-4H3