methyl 4-nitro-6-(phenylsulfonyl)hexanoate

Systemtic Name: methyl 4-nitro-6-(phenylsulfonyl)hexanoate Openeye Name: methyl 6-(benzenesulfonyl)-4-nitro-hexanoate CAS Name: 6-(benzenesulfonyl)-4-nitrohexanoic acid methyl ester IUPAC Name: methyl 6-(benzenesulfonyl)-4-nitrohexanoate Traditional Name: 6-besyl-4-nitro-hexanoic acid methyl ester Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCS(=O)(=O)C1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(CCS(=O)(=O)C1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6S/c1-20-13(15)8-7-11(14(16)17)9-10-21(18,19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3