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

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 4-(4-decoxy-3-fluoranyl-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) 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-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(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-methylbutyl) ester O1-phenyl ester Formula: C35H43FO5 MolecularWeight: 562.711323

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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

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

InChI

InChI=1S/C35H43FO5/c1-4-6-7-8-9-10-11-15-22-39-33-21-19-27(24-32(33)36)30-20-18-28(34(37)41-29-16-13-12-14-17-29)23-31(30)35(38)40-25-26(3)5-2/h12-14,16-21,23-24,26H,4-11,15,22,25H2,1-3H3