(4-heptoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: (4-heptoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-heptoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-octoxyphenyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(3-fluoro-4-octoxy-phenyl)benzoic acid (4-heptoxyphenyl) ester Formula: C34H41F3O4 MolecularWeight: 570.68215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)F)F)F

InChI

InChI=1S/C34H41F3O4/c1-3-5-7-9-11-13-23-40-31-21-14-25(24-30(31)35)28-19-20-29(33(37)32(28)36)34(38)41-27-17-15-26(16-18-27)39-22-12-10-8-6-4-2/h14-21,24H,3-13,22-23H2,1-2H3