2,6-bis(fluoranyl)-4-[2-(4-heptylphenyl)ethyl]-3-[3,4,5-tris(fluoranyl)phenyl]benzoate

Systemtic Name: 2,6-bis(fluoranyl)-4-[2-(4-heptylphenyl)ethyl]-3-[3,4,5-tris(fluoranyl)phenyl]benzoate Openeye Name: 2,6-difluoro-4-[2-(4-heptylphenyl)ethyl]-3-(3,4,5-trifluorophenyl)benzoate CAS Name: 2,6-difluoro-4-[2-(4-heptylphenyl)ethyl]-3-(3,4,5-trifluorophenyl)benzoate IUPAC Name: 2,6-difluoro-4-[2-(4-heptylphenyl)ethyl]-3-(3,4,5-trifluorophenyl)benzoate Traditional Name: 2,6-difluoro-4-[2-(4-heptylphenyl)ethyl]-3-(3,4,5-trifluorophenyl)benzoate Formula: C28H26F5O2- MolecularWeight: 489.496856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCC2=CC(=C(C(=C2C3=CC(=C(C(=C3)F)F)F)F)C(=O)[O-])F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCC2=CC(=C(C(=C2C3=CC(=C(C(=C3)F)F)F)F)C(=O)[O-])F

InChI

InChI=1S/C28H27F5O2/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)12-13-19-14-21(29)25(28(34)35)27(33)24(19)20-15-22(30)26(32)23(31)16-20/h8-11,14-16H,2-7,12-13H2,1H3,(H,34,35)/p-1