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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(/C(=O)OC)\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/h3H,1-2H3,(H3,7,8);1-4H,(H,10,11,12)/b4-3-;