5-[4-(4-octylphenyl)phenyl]-3-pentyl-oxolan-2-one

Systemtic Name: 5-[4-(4-octylphenyl)phenyl]-3-pentyl-oxolan-2-one Openeye Name: 5-[4-(4-octylphenyl)phenyl]-3-pentyl-tetrahydrofuran-2-one CAS Name: 5-[4-(4-octylphenyl)phenyl]-3-pentyl-2-oxolanone IUPAC Name: 5-[4-(4-octylphenyl)phenyl]-3-pentyloxolan-2-one Traditional Name: 3-amyl-5-[4-(4-octylphenyl)phenyl]tetrahydrofuran-2-one Formula: C29H40O2 MolecularWeight: 420.6267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CC(C(=O)O3)CCCCC

InChI

InChI=1S/C29H40O2/c1-3-5-7-8-9-11-12-23-14-16-24(17-15-23)25-18-20-26(21-19-25)28-22-27(29(30)31-28)13-10-6-4-2/h14-21,27-28H,3-13,22H2,1-2H3