(4-nonoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-nonoxy-phenyl)benzoate

Systemtic Name: (4-nonoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-nonoxy-phenyl)benzoate Openeye Name: (4-nonoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-nonoxy-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-nonoxyphenyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-nonoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(3-fluoro-4-nonoxy-phenyl)benzoic acid (4-nonoxyphenyl) ester Formula: C37H47F3O4 MolecularWeight: 612.76189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)OCCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)OCCCCCCCCC)F)F)F

InChI

InChI=1S/C37H47F3O4/c1-3-5-7-9-11-13-15-25-42-29-18-20-30(21-19-29)44-37(41)32-23-22-31(35(39)36(32)40)28-17-24-34(33(38)27-28)43-26-16-14-12-10-8-6-4-2/h17-24,27H,3-16,25-26H2,1-2H3