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

Systemtic Name: O3-(2-fluoranyl-2-methyl-butyl) O1-phenyl 4-(3-chloranyl-4-octoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-fluoro-2-methyl-butyl) O1-phenyl 4-(3-chloro-4-octoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-chloro-4-octoxyphenyl)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-(3-chloro-4-octoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(3-chloro-4-octoxy-phenyl)benzene-1,3-dicarboxylic acid O3-(2-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C33H38ClFO5 MolecularWeight: 569.103223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)F)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)F)Cl

InChI

InChI=1S/C33H38ClFO5/c1-4-6-7-8-9-13-20-38-30-19-17-24(22-29(30)34)27-18-16-25(31(36)40-26-14-11-10-12-15-26)21-28(27)32(37)39-23-33(3,35)5-2/h10-12,14-19,21-22H,4-9,13,20,23H2,1-3H3