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

Systemtic Name: [4-[2-(2-fluoranyl-2-methyl-butoxy)carbonylphenyl]phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-[2-(2-fluoro-2-methyl-butoxy)carbonylphenyl]phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-[2-[(2-fluoro-2-methylbutoxy)-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-fluoro-2-methylbutoxy)carbonylphenyl]phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-[2-(2-fluoro-2-methyl-butoxy)carbonylphenyl]phenyl] ester Formula: C33H38F2O5 MolecularWeight: 552.648626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)(CC)F)F

Isomeric SMILES

CCCCCCCCOC1=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/C33H38F2O5/c1-4-6-7-8-9-12-21-38-30-20-17-25(22-29(30)34)31(36)40-26-18-15-24(16-19-26)27-13-10-11-14-28(27)32(37)39-23-33(3,35)5-2/h10-11,13-20,22H,4-9,12,21,23H2,1-3H3