[2-(2-fluoranyloctoxycarbonyl)phenyl] 5-octoxy-2-phenyl-benzoate

Systemtic Name: [2-(2-fluoranyloctoxycarbonyl)phenyl] 5-octoxy-2-phenyl-benzoate Openeye Name: [2-(2-fluorooctoxycarbonyl)phenyl] 5-octoxy-2-phenyl-benzoate CAS Name: 5-octoxy-2-phenylbenzoic acid [2-[2-fluorooctoxy(oxo)methyl]phenyl] ester IUPAC Name: [2-(2-fluorooctoxycarbonyl)phenyl] 5-octoxy-2-phenylbenzoate Traditional Name: 5-octoxy-2-phenyl-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=C2)C(=O)OC3=CC=CC=C3C(=O)OCC(CCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C36H45FO5/c1-3-5-7-9-10-17-25-40-30-23-24-31(28-18-12-11-13-19-28)33(26-30)36(39)42-34-22-16-15-21-32(34)35(38)41-27-29(37)20-14-8-6-4-2/h11-13,15-16,18-19,21-24,26,29H,3-10,14,17,20,25,27H2,1-2H3