1-fluoranyl-6-(4-octoxyphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 1-fluoranyl-6-(4-octoxyphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylate Openeye Name: 1-fluoro-6-(4-octoxyphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-fluoro-6-(4-octoxyphenyl)-3-(2-pentylphenyl)-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 1-fluoro-6-(4-octoxyphenyl)-3-(2-pentylphenyl)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 3-(2-amylphenyl)-1-fluoro-6-(4-octoxyphenyl)cyclohexa-2,4-diene-1-carboxylate Formula: C32H40FO3- MolecularWeight: 491.656603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C=CC(=CC2(C(=O)[O-])F)C3=CC=CC=C3CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C=CC(=CC2(C(=O)[O-])F)C3=CC=CC=C3CCCCC

InChI

InChI=1S/C32H41FO3/c1-3-5-7-8-9-13-23-36-28-20-17-26(18-21-28)30-22-19-27(24-32(30,33)31(34)35)29-16-12-11-15-25(29)14-10-6-4-2/h11-12,15-22,24,30H,3-10,13-14,23H2,1-2H3,(H,34,35)/p-1