6-(4-butylphenyl)-3-pentyl-oxan-2-one

Systemtic Name: 6-(4-butylphenyl)-3-pentyl-oxan-2-one Openeye Name: 6-(4-butylphenyl)-3-pentyl-tetrahydropyran-2-one CAS Name: 6-(4-butylphenyl)-3-pentyl-2-oxanone IUPAC Name: 6-(4-butylphenyl)-3-pentyloxan-2-one Traditional Name: 3-amyl-6-(4-butylphenyl)tetrahydropyran-2-one Formula: C20H30O2 MolecularWeight: 302.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C20H30O2/c1-3-5-7-9-18-14-15-19(22-20(18)21)17-12-10-16(11-13-17)8-6-4-2/h10-13,18-19H,3-9,14-15H2,1-2H3