methyl 2-(2-fluoranyl-4-nitro-phenyl)-4-phenoxysulfonyl-butanoate

Systemtic Name: methyl 2-(2-fluoranyl-4-nitro-phenyl)-4-phenoxysulfonyl-butanoate Openeye Name: methyl 2-(2-fluoro-4-nitro-phenyl)-4-phenoxysulfonyl-butanoate CAS Name: 2-(2-fluoro-4-nitrophenyl)-4-phenoxysulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-(2-fluoro-4-nitrophenyl)-4-phenoxysulfonylbutanoate Traditional Name: 2-(2-fluoro-4-nitro-phenyl)-4-phenoxysulfonyl-butyric acid methyl ester Formula: C17H16FNO7S MolecularWeight: 397.374843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)(=O)OC1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)C(CCS(=O)(=O)OC1=CC=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C17H16FNO7S/c1-25-17(20)15(14-8-7-12(19(21)22)11-16(14)18)9-10-27(23,24)26-13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3