(E)-2-[ethyl-[5-(hydroxymethyl)furan-2-yl]-methyl-azaniumyl]-2-methylsulfanyl-1-nitro-ethenethiolate

Systemtic Name: (E)-2-[ethyl-[5-(hydroxymethyl)furan-2-yl]-methyl-azaniumyl]-2-methylsulfanyl-1-nitro-ethenethiolate Openeye Name: (E)-2-[ethyl-[5-(hydroxymethyl)-2-furyl]-methyl-ammonio]-2-methylsulfanyl-1-nitro-ethenethiolate CAS Name: (E)-2-[ethyl-[5-(hydroxymethyl)-2-furanyl]-methylammonio]-2-(methylthio)-1-nitroethenethiolate IUPAC Name: (E)-2-[ethyl-[5-(hydroxymethyl)furan-2-yl]-methylazaniumyl]-2-methylsulfanyl-1-nitroethenethiolate Traditional Name: (E)-2-[ethyl-methyl-(5-methylol-2-furyl)ammonio]-2-(methylthio)-1-nitro-ethenethiolate Formula: C11H16N2O4S2 MolecularWeight: 304.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C1=CC=C(O1)CO)C(=C([N+](=O)[O-])[S-])SC

Isomeric SMILES

CC[N+](C)(C1=CC=C(O1)CO)/C(=C(/[N+](=O)[O-])\[S-])/SC

InChI

InChI=1S/C11H16N2O4S2/c1-4-13(2,9-6-5-8(7-14)17-9)11(19-3)10(18)12(15)16/h5-6,14H,4,7H2,1-3H3/b11-10+