3-octyl-5-[4-(4-pentoxyphenyl)phenyl]oxolan-2-one

Systemtic Name: 3-octyl-5-[4-(4-pentoxyphenyl)phenyl]oxolan-2-one Openeye Name: 3-octyl-5-[4-(4-pentoxyphenyl)phenyl]tetrahydrofuran-2-one CAS Name: 3-octyl-5-[4-(4-pentoxyphenyl)phenyl]-2-oxolanone IUPAC Name: 3-octyl-5-[4-(4-pentoxyphenyl)phenyl]oxolan-2-one Traditional Name: 5-[4-(4-amoxyphenyl)phenyl]-3-octyl-tetrahydrofuran-2-one Formula: C29H40O3 MolecularWeight: 436.6261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(OC1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC

Isomeric SMILES

CCCCCCCCC1CC(OC1=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC

InChI

InChI=1S/C29H40O3/c1-3-5-7-8-9-10-12-26-22-28(32-29(26)30)25-15-13-23(14-16-25)24-17-19-27(20-18-24)31-21-11-6-4-2/h13-20,26,28H,3-12,21-22H2,1-2H3