bis[(2S)-2-fluoranylbutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis[(2S)-2-fluoranylbutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(2S)-2-fluorobutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-fluorobutyl] ester IUPAC Name: bis[(2S)-2-fluorobutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2S)-2-fluorobutyl] ester Formula: C28H28F2O4 MolecularWeight: 466.516326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28F2O4/c1-3-22(29)17-33-27(31)25-12-8-11-24(26(25)28(32)34-18-23(30)4-2)21-15-13-20(14-16-21)19-9-6-5-7-10-19/h5-16,22-23H,3-4,17-18H2,1-2H3/t22-,23-/m0/s1