6-butyl-3-(4-octylphenyl)oxan-2-one

Systemtic Name: 6-butyl-3-(4-octylphenyl)oxan-2-one Openeye Name: 6-butyl-3-(4-octylphenyl)tetrahydropyran-2-one CAS Name: 6-butyl-3-(4-octylphenyl)-2-oxanone IUPAC Name: 6-butyl-3-(4-octylphenyl)oxan-2-one Traditional Name: 6-butyl-3-(4-octylphenyl)tetrahydropyran-2-one Formula: C23H36O2 MolecularWeight: 344.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(OC2=O)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(OC2=O)CCCC

InChI

InChI=1S/C23H36O2/c1-3-5-7-8-9-10-11-19-13-15-20(16-14-19)22-18-17-21(12-6-4-2)25-23(22)24/h13-16,21-22H,3-12,17-18H2,1-2H3