[1-nitro-1-(phenylsulfonyl)butan-2-yl]sulfanylbenzene

Systemtic Name: [1-nitro-1-(phenylsulfonyl)butan-2-yl]sulfanylbenzene Openeye Name: 1-[benzenesulfonyl(nitro)methyl]propylsulfanylbenzene CAS Name: [[1-(benzenesulfonyl)-1-nitrobutan-2-yl]thio]benzene IUPAC Name: [1-(benzenesulfonyl)-1-nitrobutan-2-yl]sulfanylbenzene Traditional Name: [1-[besyl(nitro)methyl]propylthio]benzene Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCC(C([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4S2/c1-2-15(22-13-9-5-3-6-10-13)16(17(18)19)23(20,21)14-11-7-4-8-12-14/h3-12,15-16H,2H2,1H3