4-[5-decoxy-3,4-bis(fluoranyl)-5-methyl-hexan-2-yl]oxy-3-fluoranyl-benzoate

Systemtic Name: 4-[5-decoxy-3,4-bis(fluoranyl)-5-methyl-hexan-2-yl]oxy-3-fluoranyl-benzoate Openeye Name: 4-(4-decoxy-2,3-difluoro-1,4-dimethyl-pentoxy)-3-fluoro-benzoate CAS Name: 4-(5-decoxy-3,4-difluoro-5-methylhexan-2-yl)oxy-3-fluorobenzoate IUPAC Name: 4-(5-decoxy-3,4-difluoro-5-methylhexan-2-yl)oxy-3-fluorobenzoate Traditional Name: 4-(4-decoxy-2,3-difluoro-1,4-dimethyl-pentoxy)-3-fluoro-benzoate Formula: C24H36F3O4- MolecularWeight: 445.53545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)(C)C(C(C(C)OC1=C(C=C(C=C1)C(=O)[O-])F)F)F

Isomeric SMILES

CCCCCCCCCCOC(C)(C)C(C(C(C)OC1=C(C=C(C=C1)C(=O)[O-])F)F)F

InChI

InChI=1S/C24H37F3O4/c1-5-6-7-8-9-10-11-12-15-30-24(3,4)22(27)21(26)17(2)31-20-14-13-18(23(28)29)16-19(20)25/h13-14,16-17,21-22H,5-12,15H2,1-4H3,(H,28,29)/p-1