2,3-bis(fluoranyl)-4-nonoxy-4-(3-octyl-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 2,3-bis(fluoranyl)-4-nonoxy-4-(3-octyl-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: 2,3-difluoro-4-nonoxy-4-(3-octyl-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 2,3-difluoro-4-nonoxy-4-(3-octyl-4-phenylphenyl)-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 2,3-difluoro-4-nonoxy-4-(3-octyl-4-phenylphenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 2,3-difluoro-4-nonoxy-4-(3-octyl-4-phenyl-phenyl)cyclohexa-2,5-diene-1-carboxylate Formula: C36H47F2O3- MolecularWeight: 565.753386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1(C=CC(C(=C1F)F)C(=O)[O-])C2=CC(=C(C=C2)C3=CC=CC=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCOC1(C=CC(C(=C1F)F)C(=O)[O-])C2=CC(=C(C=C2)C3=CC=CC=C3)CCCCCCCC

InChI

InChI=1S/C36H48F2O3/c1-3-5-7-9-11-13-18-26-41-36(25-24-32(35(39)40)33(37)34(36)38)30-22-23-31(28-19-16-14-17-20-28)29(27-30)21-15-12-10-8-6-4-2/h14,16-17,19-20,22-25,27,32H,3-13,15,18,21,26H2,1-2H3,(H,39,40)/p-1