bis[(2S)-2-fluoranyl-3-methyl-butyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis[(2S)-2-fluoranyl-3-methyl-butyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(2S)-2-fluoro-3-methyl-butyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-fluoro-3-methylbutyl] ester IUPAC Name: bis[(2S)-2-fluoro-3-methylbutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-fluoro-3-methyl-butyl] ester Formula: C30H32F2O4 MolecularWeight: 494.569486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(=O)C1=CC=CC(=C1C(=O)OCC(C(C)C)F)C2=CC=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CC(C)[C@@H](COC(=O)C1=CC=CC(=C1C(=O)OC[C@H](C(C)C)F)C2=CC=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C30H32F2O4/c1-19(2)26(31)17-35-29(33)25-12-8-11-24(28(25)30(34)36-18-27(32)20(3)4)23-15-13-22(14-16-23)21-9-6-5-7-10-21/h5-16,19-20,26-27H,17-18H2,1-4H3/t26-,27-/m1/s1