2,3-bis(fluoranyl)-4-[2-(4-pentylphenyl)phenyl]-4-propyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2,3-bis(fluoranyl)-4-[2-(4-pentylphenyl)phenyl]-4-propyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 2,3-difluoro-4-[2-(4-pentylphenyl)phenyl]-4-propyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2,3-difluoro-4-[2-(4-pentylphenyl)phenyl]-4-propyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2,3-difluoro-4-[2-(4-pentylphenyl)phenyl]-4-propylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[2-(4-amylphenyl)phenyl]-2,3-difluoro-4-propyl-cyclohexa-2,5-diene-1-carboxylate Formula: C27H29F2O2- MolecularWeight: 423.514766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3(C=CC(C(=C3F)F)C(=O)[O-])CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3(C=CC(C(=C3F)F)C(=O)[O-])CCC

InChI

InChI=1S/C27H30F2O2/c1-3-5-6-9-19-12-14-20(15-13-19)21-10-7-8-11-23(21)27(17-4-2)18-16-22(26(30)31)24(28)25(27)29/h7-8,10-16,18,22H,3-6,9,17H2,1-2H3,(H,30,31)/p-1