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

Systemtic Name: (4-decoxyphenyl) 4-[3,4-bis(fluoranyl)-5-methyl-hexan-2-yl]oxy-3-fluoranyl-benzoate Openeye Name: (4-decoxyphenyl) 4-(2,3-difluoro-1,4-dimethyl-pentoxy)-3-fluoro-benzoate CAS Name: 4-(3,4-difluoro-5-methylhexan-2-yl)oxy-3-fluorobenzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-(3,4-difluoro-5-methylhexan-2-yl)oxy-3-fluorobenzoate Traditional Name: 4-(2,3-difluoro-1,4-dimethyl-pentoxy)-3-fluoro-benzoic acid (4-decoxyphenyl) ester Formula: C30H41F3O4 MolecularWeight: 522.63935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41F3O4/c1-5-6-7-8-9-10-11-12-19-35-24-14-16-25(17-15-24)37-30(34)23-13-18-27(26(31)20-23)36-22(4)29(33)28(32)21(2)3/h13-18,20-22,28-29H,5-12,19H2,1-4H3