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

Systemtic Name: O3-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-(4-dodecoxy-3-fluoranyl-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-fluoro-2-methyl-butyl) O1-phenyl 4-(4-dodecoxy-3-fluoro-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-dodecoxy-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-dodecoxy-3-fluorophenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(3-fluoro-4-lauryloxy-phenyl)benzene-1,3-dicarboxylic acid O3-(2-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C37H46F2O5 MolecularWeight: 608.754946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=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

CCCCCCCCCCCCOC1=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/C37H46F2O5/c1-4-6-7-8-9-10-11-12-13-17-24-42-34-23-21-28(26-33(34)38)31-22-20-29(35(40)44-30-18-15-14-16-19-30)25-32(31)36(41)43-27-37(3,39)5-2/h14-16,18-23,25-26H,4-13,17,24,27H2,1-3H3