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

Systemtic Name: (4-decoxyphenyl) 4-(2-chloranyl-3-methyl-butanoyl)oxy-3-fluoranyl-benzoate Openeye Name: (4-decoxyphenyl) 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoate CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)-3-fluorobenzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-fluorobenzoate Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxy-3-fluoro-benzoic acid (4-decoxyphenyl) ester Formula: C28H36ClFO5 MolecularWeight: 507.033843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C28H36ClFO5/c1-4-5-6-7-8-9-10-11-18-33-22-13-15-23(16-14-22)34-27(31)21-12-17-25(24(30)19-21)35-28(32)26(29)20(2)3/h12-17,19-20,26H,4-11,18H2,1-3H3