2-fluoranyl-1-[2-(6-methylheptan-2-yloxycarbonyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2-fluoranyl-1-[2-(6-methylheptan-2-yloxycarbonyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-[2-(1,5-dimethylhexoxycarbonyl)phenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-fluoro-1-[2-[6-methylheptan-2-yloxy(oxo)methyl]phenyl]-4-(4-nonoxyphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2-fluoro-1-[2-(6-methylheptan-2-yloxycarbonyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[2-(1,5-dimethylhexoxycarbonyl)phenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C37H48FO5- MolecularWeight: 591.772423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CCCC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CCCC(C)C)C(=O)[O-]

InChI

InChI=1S/C37H49FO5/c1-5-6-7-8-9-10-13-25-42-31-21-19-29(20-22-31)30-23-24-37(36(40)41,34(38)26-30)33-18-12-11-17-32(33)35(39)43-28(4)16-14-15-27(2)3/h11-12,17-24,26-28,30H,5-10,13-16,25H2,1-4H3,(H,40,41)/p-1