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

Systemtic Name: [4-(4-octylphenyl)phenyl] 2,3-bis(fluoranyl)-4-nonoxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 2,3-difluoro-4-nonoxy-benzoate CAS Name: 2,3-difluoro-4-nonoxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 2,3-difluoro-4-nonoxybenzoate Traditional Name: 2,3-difluoro-4-nonoxy-benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C36H46F2O3 MolecularWeight: 564.745446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCC)F)F

InChI

InChI=1S/C36H46F2O3/c1-3-5-7-9-11-13-15-27-40-33-26-25-32(34(37)35(33)38)36(39)41-31-23-21-30(22-24-31)29-19-17-28(18-20-29)16-14-12-10-8-6-4-2/h17-26H,3-16,27H2,1-2H3