1,1,1-tris(fluoranyl)octan-2-yl 4-(5-decoxycarbonyl-2-phenyl-phenyl)-2-fluoranyl-benzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-(5-decoxycarbonyl-2-phenyl-phenyl)-2-fluoranyl-benzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-(5-decoxycarbonyl-2-phenyl-phenyl)-2-fluoro-benzoate CAS Name: 4-[5-[decoxy(oxo)methyl]-2-phenylphenyl]-2-fluorobenzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-(5-decoxycarbonyl-2-phenylphenyl)-2-fluorobenzoate Traditional Name: 4-(5-decoxycarbonyl-2-phenyl-phenyl)-2-fluoro-benzoic acid 1-(trifluoromethyl)heptyl ester Formula: C38H46F4O4 MolecularWeight: 642.763053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F)F

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F)F

InChI

InChI=1S/C38H46F4O4/c1-3-5-7-9-10-11-12-17-25-45-36(43)30-22-23-31(28-18-14-13-15-19-28)33(26-30)29-21-24-32(34(39)27-29)37(44)46-35(38(40,41)42)20-16-8-6-4-2/h13-15,18-19,21-24,26-27,35H,3-12,16-17,20,25H2,1-2H3