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

Systemtic Name: 4-(4-dodecoxyphenyl)-2-fluoranyl-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 1-[2-(1,3-dimethylbutoxycarbonyl)phenyl]-4-(4-dodecoxyphenyl)-2-fluoro-cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-(4-dodecoxyphenyl)-2-fluoro-1-[2-[4-methylpentan-2-yloxy(oxo)methyl]phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-(4-dodecoxyphenyl)-2-fluoro-1-[2-(4-methylpentan-2-yloxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-[2-(1,3-dimethylbutoxycarbonyl)phenyl]-2-fluoro-4-(4-lauryloxyphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C38H50FO5- MolecularWeight: 605.799003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=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/C38H51FO5/c1-5-6-7-8-9-10-11-12-13-16-25-43-32-21-19-30(20-22-32)31-23-24-38(37(41)42,35(39)27-31)34-18-15-14-17-33(34)36(40)44-29(4)26-28(2)3/h14-15,17-24,27-29,31H,5-13,16,25-26H2,1-4H3,(H,41,42)/p-1