2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-octyl-benzoate

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-octyl-benzoate Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-octyl-benzoate CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-octylbenzoate IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-octylbenzoate Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-octyl-benzoate Formula: C28H37F2O3- MolecularWeight: 459.588386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)[O-])C2=C(C(=C(C=C2)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)[O-])C2=C(C(=C(C=C2)OCCCCCCC)F)F

InChI

InChI=1S/C28H38F2O3/c1-3-5-7-9-10-12-14-21-15-16-23(28(31)32)24(20-21)22-17-18-25(27(30)26(22)29)33-19-13-11-8-6-4-2/h15-18,20H,3-14,19H2,1-2H3,(H,31,32)/p-1