methyl 6-nitro-8-(phenylsulfonyl)octanoate

Systemtic Name: methyl 6-nitro-8-(phenylsulfonyl)octanoate Openeye Name: methyl 8-(benzenesulfonyl)-6-nitro-octanoate CAS Name: 8-(benzenesulfonyl)-6-nitrooctanoic acid methyl ester IUPAC Name: methyl 8-(benzenesulfonyl)-6-nitrooctanoate Traditional Name: 8-besyl-6-nitro-caprylic acid methyl ester Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO6S/c1-22-15(17)10-6-5-7-13(16(18)19)11-12-23(20,21)14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3