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

Systemtic Name: O3-(3-fluoranyl-2-methyl-butyl) O1-phenyl 4-(3-chloranyl-4-hexadecoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-fluoro-2-methyl-butyl) O1-phenyl 4-(3-chloro-4-hexadecoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-chloro-4-hexadecoxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-fluoro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(3-fluoro-2-methylbutyl) 1-O-phenyl 4-(3-chloro-4-hexadecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-cetyloxy-3-chloro-phenyl)benzene-1,3-dicarboxylic acid O3-(3-fluoro-2-methyl-butyl) ester O1-phenyl ester Formula: C41H54ClFO5 MolecularWeight: 681.315863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)F)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)F)Cl

InChI

InChI=1S/C41H54ClFO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-46-39-26-24-33(29-38(39)42)36-25-23-34(40(44)48-35-21-18-17-19-22-35)28-37(36)41(45)47-30-31(2)32(3)43/h17-19,21-26,28-29,31-32H,4-16,20,27,30H2,1-3H3