[4-(5-octylpyridin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-nonyl-benzoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 2,3-bis(fluoranyl)-4-nonyl-benzoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 2,3-difluoro-4-nonyl-benzoate CAS Name: 2,3-difluoro-4-nonylbenzoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 2,3-difluoro-4-nonylbenzoate Traditional Name: 2,3-difluoro-4-nonyl-benzoic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C35H45F2NO2 MolecularWeight: 549.734106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCCCCCC)F)F

InChI

InChI=1S/C35H45F2NO2/c1-3-5-7-9-11-13-15-17-29-21-24-31(34(37)33(29)36)35(39)40-30-22-19-28(20-23-30)32-25-18-27(26-38-32)16-14-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3