(4-nonoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate

Systemtic Name: (4-nonoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate Openeye Name: (4-nonoxyphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-fluorobenzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-fluorobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoic acid (4-nonoxyphenyl) ester Formula: C27H34ClFO5 MolecularWeight: 493.007263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C27H34ClFO5/c1-4-5-6-7-8-9-10-17-32-21-12-14-22(15-13-21)33-26(30)20-11-16-24(23(29)18-20)34-27(31)25(28)19(2)3/h11-16,18-19,25H,4-10,17H2,1-3H3