(2-cyano-2-methyl-hexyl) 2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)benzoate

Systemtic Name: (2-cyano-2-methyl-hexyl) 2,3-bis(fluoranyl)-4-(4-heptoxyphenyl)benzoate Openeye Name: (2-cyano-2-methyl-hexyl) 2,3-difluoro-4-(4-heptoxyphenyl)benzoate CAS Name: 2,3-difluoro-4-(4-heptoxyphenyl)benzoic acid (2-cyano-2-methylhexyl) ester IUPAC Name: (2-cyano-2-methylhexyl) 2,3-difluoro-4-(4-heptoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(4-heptoxyphenyl)benzoic acid (2-cyano-2-methyl-hexyl) ester Formula: C28H35F2NO3 MolecularWeight: 471.579206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OCC(C)(CCCC)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C(=O)OCC(C)(CCCC)C#N)F)F

InChI

InChI=1S/C28H35F2NO3/c1-4-6-8-9-10-18-33-22-13-11-21(12-14-22)23-15-16-24(26(30)25(23)29)27(32)34-20-28(3,19-31)17-7-5-2/h11-16H,4-10,17-18,20H2,1-3H3