[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] heptanoate

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] heptanoate Openeye Name: [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] heptanoate CAS Name: heptanoic acid [4-(2,3-difluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-octoxyphenyl)phenyl] heptanoate Traditional Name: enanthic acid [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] ester Formula: C27H36F2O3 MolecularWeight: 446.569746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCC)F)F

InChI

InChI=1S/C27H36F2O3/c1-3-5-7-9-10-12-20-31-24-19-18-23(26(28)27(24)29)21-14-16-22(17-15-21)32-25(30)13-11-8-6-4-2/h14-19H,3-13,20H2,1-2H3