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

Systemtic Name: 2-fluoranyl-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]-4-(4-undecanoyloxyphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-[2-(1,4-dimethylpentoxycarbonyl)phenyl]-2-fluoro-4-(4-undecanoyloxyphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-fluoro-1-[2-[5-methylhexan-2-yloxy(oxo)methyl]phenyl]-4-[4-(1-oxoundecoxy)phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2-fluoro-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]-4-(4-undecanoyloxyphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[2-(1,4-dimethylpentoxycarbonyl)phenyl]-2-fluoro-4-(4-undecanoyloxyphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C38H48FO6- MolecularWeight: 619.782523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H49FO6/c1-5-6-7-8-9-10-11-12-17-35(40)45-31-22-20-29(21-23-31)30-24-25-38(37(42)43,34(39)26-30)33-16-14-13-15-32(33)36(41)44-28(4)19-18-27(2)3/h13-16,20-28,30H,5-12,17-19H2,1-4H3,(H,42,43)/p-1