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

Systemtic Name: 4-ethoxy-2,3-bis(fluoranyl)-4-[2-(4-pentylphenyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: 4-ethoxy-2,3-difluoro-4-[2-(4-pentylphenyl)phenyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-ethoxy-2,3-difluoro-4-[2-(4-pentylphenyl)phenyl]-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 4-ethoxy-2,3-difluoro-4-[2-(4-pentylphenyl)phenyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[2-(4-amylphenyl)phenyl]-4-ethoxy-2,3-difluoro-cyclohexa-2,5-diene-1-carboxylate Formula: C26H27F2O3- MolecularWeight: 425.487586

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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-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H28F2O3/c1-3-5-6-9-18-12-14-19(15-13-18)20-10-7-8-11-22(20)26(31-4-2)17-16-21(25(29)30)23(27)24(26)28/h7-8,10-17,21H,3-6,9H2,1-2H3,(H,29,30)/p-1