2-fluoranyl-1-[2-(2-methyl-4-propan-2-yloxy-butanoyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2-fluoranyl-1-[2-(2-methyl-4-propan-2-yloxy-butanoyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 2-fluoro-1-[2-(4-isopropoxy-2-methyl-butanoyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 2-fluoro-1-[2-(2-methyl-1-oxo-4-propan-2-yloxybutyl)phenyl]-4-(4-nonoxyphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2-fluoro-1-[2-(2-methyl-4-propan-2-yloxybutanoyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 2-fluoro-1-[2-(4-isopropoxy-2-methyl-butanoyl)phenyl]-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C36H46FO5- MolecularWeight: 577.745843

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

Isomeric SMILES

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

InChI

InChI=1S/C36H47FO5/c1-5-6-7-8-9-10-13-23-42-30-18-16-28(17-19-30)29-20-22-36(35(39)40,33(37)25-29)32-15-12-11-14-31(32)34(38)27(4)21-24-41-26(2)3/h11-12,14-20,22,25-27,29H,5-10,13,21,23-24H2,1-4H3,(H,39,40)/p-1