(4-decoxyphenyl) 4-[2,3-bis(fluoranyl)hexoxy]-3-fluoranyl-benzoate

Systemtic Name: (4-decoxyphenyl) 4-[2,3-bis(fluoranyl)hexoxy]-3-fluoranyl-benzoate Openeye Name: (4-decoxyphenyl) 4-(2,3-difluorohexoxy)-3-fluoro-benzoate CAS Name: 4-(2,3-difluorohexoxy)-3-fluorobenzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-(2,3-difluorohexoxy)-3-fluorobenzoate Traditional Name: 4-(2,3-difluorohexoxy)-3-fluoro-benzoic acid (4-decoxyphenyl) ester Formula: C29H39F3O4 MolecularWeight: 508.61277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC(C(CCC)F)F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCC(C(CCC)F)F)F

InChI

InChI=1S/C29H39F3O4/c1-3-5-6-7-8-9-10-11-19-34-23-14-16-24(17-15-23)36-29(33)22-13-18-28(26(31)20-22)35-21-27(32)25(30)12-4-2/h13-18,20,25,27H,3-12,19,21H2,1-2H3