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

Systemtic Name: (4-heptylphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate Openeye Name: (4-heptylphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-fluorobenzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-fluorobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoic acid (4-heptylphenyl) ester Formula: C25H30ClFO4 MolecularWeight: 448.954703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C25H30ClFO4/c1-4-5-6-7-8-9-18-10-13-20(14-11-18)30-24(28)19-12-15-22(21(27)16-19)31-25(29)23(26)17(2)3/h10-17,23H,4-9H2,1-3H3