O3-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-(4-decoxy-3-fluoranyl-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-(4-decoxy-3-fluoranyl-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-fluoro-2-methyl-butyl) O1-phenyl 4-(4-decoxy-3-fluoro-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-decoxy-3-fluorophenyl)benzene-1,3-dicarboxylic acid O3-(2-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-fluoro-2-methylbutyl) 1-O-phenyl 4-(4-decoxy-3-fluorophenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-decoxy-3-fluoro-phenyl)benzene-1,3-dicarboxylic acid O3-(2-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C35H42F2O5 MolecularWeight: 580.701786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)F)F

InChI

InChI=1S/C35H42F2O5/c1-4-6-7-8-9-10-11-15-22-40-32-21-19-26(24-31(32)36)29-20-18-27(33(38)42-28-16-13-12-14-17-28)23-30(29)34(39)41-25-35(3,37)5-2/h12-14,16-21,23-24H,4-11,15,22,25H2,1-3H3