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

Systemtic Name: 4-(4-decanoyloxyphenyl)-2-fluoranyl-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-(4-decanoyloxyphenyl)-1-[2-(1,4-dimethylpentoxycarbonyl)phenyl]-2-fluoro-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-fluoro-1-[2-[5-methylhexan-2-yloxy(oxo)methyl]phenyl]-4-[4-(1-oxodecoxy)phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-decanoyloxyphenyl)-2-fluoro-1-[2-(5-methylhexan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-(4-capryloxyphenyl)-1-[2-(1,4-dimethylpentoxycarbonyl)phenyl]-2-fluoro-cyclohexa-2,5-diene-1-carboxylate Formula: C37H46FO6- MolecularWeight: 605.755943

Click to see the large picture

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)CCC(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)CCC(C)C)C(=O)[O-]

InChI

InChI=1S/C37H47FO6/c1-5-6-7-8-9-10-11-16-34(39)44-30-21-19-28(20-22-30)29-23-24-37(36(41)42,33(38)25-29)32-15-13-12-14-31(32)35(40)43-27(4)18-17-26(2)3/h12-15,19-27,29H,5-11,16-18H2,1-4H3,(H,41,42)/p-1