[2-(2-fluoranyloctoxycarbonyl)phenyl] 2-(4-octoxyphenyl)benzoate

Systemtic Name: [2-(2-fluoranyloctoxycarbonyl)phenyl] 2-(4-octoxyphenyl)benzoate Openeye Name: [2-(2-fluorooctoxycarbonyl)phenyl] 2-(4-octoxyphenyl)benzoate CAS Name: 2-(4-octoxyphenyl)benzoic acid [2-[2-fluorooctoxy(oxo)methyl]phenyl] ester IUPAC Name: [2-(2-fluorooctoxycarbonyl)phenyl] 2-(4-octoxyphenyl)benzoate Traditional Name: 2-(4-octoxyphenyl)benzoic acid [2-(2-fluorooctoxycarbonyl)phenyl] ester Formula: C36H45FO5 MolecularWeight: 576.737903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=CC=C3C(=O)OCC(CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=CC=C3C(=O)OCC(CCCCCC)F

InChI

InChI=1S/C36H45FO5/c1-3-5-7-9-10-16-26-40-30-24-22-28(23-25-30)31-18-12-13-19-32(31)36(39)42-34-21-15-14-20-33(34)35(38)41-27-29(37)17-11-8-6-4-2/h12-15,18-25,29H,3-11,16-17,26-27H2,1-2H3