5-methoxypentan-2-yl 4-[4-(4-decoxyphenyl)phenyl]carbonyloxy-2-fluoranyl-benzoate

Systemtic Name: 5-methoxypentan-2-yl 4-[4-(4-decoxyphenyl)phenyl]carbonyloxy-2-fluoranyl-benzoate Openeye Name: (4-methoxy-1-methyl-butyl) 4-[4-(4-decoxyphenyl)benzoyl]oxy-2-fluoro-benzoate CAS Name: 4-[[4-(4-decoxyphenyl)phenyl]-oxomethoxy]-2-fluorobenzoic acid 5-methoxypentan-2-yl ester IUPAC Name: 5-methoxypentan-2-yl 4-[4-(4-decoxyphenyl)benzoyl]oxy-2-fluorobenzoate Traditional Name: 4-[4-(4-decoxyphenyl)benzoyl]oxy-2-fluoro-benzoic acid (4-methoxy-1-methyl-butyl) ester Formula: C36H45FO6 MolecularWeight: 592.737303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CCCOC)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CCCOC)F

InChI

InChI=1S/C36H45FO6/c1-4-5-6-7-8-9-10-11-25-41-31-20-18-29(19-21-31)28-14-16-30(17-15-28)35(38)43-32-22-23-33(34(37)26-32)36(39)42-27(2)13-12-24-40-3/h14-23,26-27H,4-13,24-25H2,1-3H3