[4-[2-(2-fluoranyl-2-methyl-butoxy)carbonylphenyl]phenyl] 3-fluoranyl-4-tetradecoxy-benzoate

Systemtic Name: [4-[2-(2-fluoranyl-2-methyl-butoxy)carbonylphenyl]phenyl] 3-fluoranyl-4-tetradecoxy-benzoate Openeye Name: [4-[2-(2-fluoro-2-methyl-butoxy)carbonylphenyl]phenyl] 3-fluoro-4-tetradecoxy-benzoate CAS Name: 3-fluoro-4-tetradecoxybenzoic acid [4-[2-[(2-fluoro-2-methylbutoxy)-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-fluoro-2-methylbutoxy)carbonylphenyl]phenyl] 3-fluoro-4-tetradecoxybenzoate Traditional Name: 3-fluoro-4-myristyloxy-benzoic acid [4-[2-(2-fluoro-2-methyl-butoxy)carbonylphenyl]phenyl] ester Formula: C39H50F2O5 MolecularWeight: 636.808106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)(CC)F)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)(CC)F)F

InChI

InChI=1S/C39H50F2O5/c1-4-6-7-8-9-10-11-12-13-14-15-18-27-44-36-26-23-31(28-35(36)40)37(42)46-32-24-21-30(22-25-32)33-19-16-17-20-34(33)38(43)45-29-39(3,41)5-2/h16-17,19-26,28H,4-15,18,27,29H2,1-3H3