ethyl-[5-(hydroxymethyl)furan-2-yl]-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanyl-ethenyl]azanium

Systemtic Name: ethyl-[5-(hydroxymethyl)furan-2-yl]-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanyl-ethenyl]azanium Openeye Name: ethyl-[5-(hydroxymethyl)-2-furyl]-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanyl-vinyl]ammonium CAS Name: ethyl-[5-(hydroxymethyl)-2-furanyl]-[(E)-2-mercapto-1-(methylthio)-2-nitroethenyl]-methylammonium IUPAC Name: ethyl-[5-(hydroxymethyl)furan-2-yl]-methyl-[(E)-1-methylsulfanyl-2-nitro-2-sulfanylethenyl]azanium Traditional Name: ethyl-[(E)-2-mercapto-1-(methylthio)-2-nitro-vinyl]-methyl-(5-methylol-2-furyl)ammonium Formula: C11H17N2O4S2+ MolecularWeight: 305.39368

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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/p+1/b11-10+