[azanyl-(1-methoxy-1-oxidanylidene-but-3-en-2-yl)sulfanyl-methylidene]azanium; 4-nitrobenzenesulfonate

Systemtic Name: [azanyl-(1-methoxy-1-oxidanylidene-but-3-en-2-yl)sulfanyl-methylidene]azanium; 4-nitrobenzenesulfonate Openeye Name: [amino(1-methoxycarbonylallylsulfanyl)methylene]ammonium; 4-nitrobenzenesulfonate CAS Name: [amino-[(1-methoxy-1-oxobut-3-en-2-yl)thio]methylidene]ammonium; 4-nitrobenzenesulfonate IUPAC Name: [amino-(1-methoxy-1-oxobut-3-en-2-yl)sulfanylmethylidene]azanium; 4-nitrobenzenesulfonate Traditional Name: [amino-(1-carbomethoxyallylthio)methylene]ammonium; 4-nitrobesylate Formula: C12H15N3O7S2 MolecularWeight: 377.3934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=C)SC(=[NH2+])N.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C(C=C)SC(=[NH2+])N.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C6H10N2O2S.C6H5NO5S/c1-3-4(5(9)10-2)11-6(7)8;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h3-4H,1H2,2H3,(H3,7,8);1-4H,(H,10,11,12)