(3-fluoranyl-4-methoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C16H14FNO7S MolecularWeight: 383.348263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])F

InChI

InChI=1S/C16H14FNO7S/c1-24-14-5-3-10(7-12(14)17)9-25-16(19)11-4-6-15(26(2,22)23)13(8-11)18(20)21/h3-8H,9H2,1-2H3