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

Systemtic Name: (4-heptoxyphenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (4-heptoxyphenyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (4-heptoxyphenyl) ester Formula: C34H42F2O4 MolecularWeight: 552.691686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H42F2O4/c1-3-5-7-9-11-13-25-39-31-23-22-30(32(35)33(31)36)26-14-16-27(17-15-26)34(37)40-29-20-18-28(19-21-29)38-24-12-10-8-6-4-2/h14-23H,3-13,24-25H2,1-2H3