2-[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl]-4-nonoxy-benzoate

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl]-4-nonoxy-benzoate Openeye Name: 2-[4-(2,3-difluoro-4-octoxy-phenyl)phenyl]-4-nonoxy-benzoate CAS Name: 2-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-4-nonoxybenzoate IUPAC Name: 2-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-4-nonoxybenzoate Traditional Name: 2-[4-(2,3-difluoro-4-octoxy-phenyl)phenyl]-4-nonoxy-benzoate Formula: C36H45F2O4- MolecularWeight: 579.736906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)[O-])C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)[O-])C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C36H46F2O4/c1-3-5-7-9-11-13-14-24-41-29-20-21-31(36(39)40)32(26-29)28-18-16-27(17-19-28)30-22-23-33(35(38)34(30)37)42-25-15-12-10-8-6-4-2/h16-23,26H,3-15,24-25H2,1-2H3,(H,39,40)/p-1