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

Systemtic Name: (4-octylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate Openeye Name: (4-octylphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-fluorobenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-fluorobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoic acid (4-octylphenyl) ester Formula: C26H32ClFO4 MolecularWeight: 462.981283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C26H32ClFO4/c1-4-5-6-7-8-9-10-19-11-14-21(15-12-19)31-25(29)20-13-16-23(22(28)17-20)32-26(30)24(27)18(2)3/h11-18,24H,4-10H2,1-3H3