4-(4-decanoyloxyphenyl)-2-fluoranyl-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 4-(4-decanoyloxyphenyl)-2-fluoranyl-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(4-decanoyloxyphenyl)-1-[2-(1,3-dimethylbutoxycarbonyl)phenyl]-2-fluoro-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-fluoro-1-[2-[4-methylpentan-2-yloxy(oxo)methyl]phenyl]-4-[4-(1-oxodecoxy)phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-decanoyloxyphenyl)-2-fluoro-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-(4-capryloxyphenyl)-1-[2-(1,3-dimethylbutoxycarbonyl)phenyl]-2-fluoro-cyclohexa-2,5-diene-1-carboxylate Formula: C36H44FO6- MolecularWeight: 591.729363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(C)C)C(=O)[O-]

InChI

InChI=1S/C36H45FO6/c1-5-6-7-8-9-10-11-16-33(38)43-29-19-17-27(18-20-29)28-21-22-36(35(40)41,32(37)24-28)31-15-13-12-14-30(31)34(39)42-26(4)23-25(2)3/h12-15,17-22,24-26,28H,5-11,16,23H2,1-4H3,(H,40,41)/p-1