[azanyl-[(E)-6-methoxy-6-oxidanylidene-hex-4-en-3-yl]sulfanyl-methylidene]azanium; 4-nitrobenzenesulfonate

Systemtic Name: [azanyl-[(E)-6-methoxy-6-oxidanylidene-hex-4-en-3-yl]sulfanyl-methylidene]azanium; 4-nitrobenzenesulfonate Openeye Name: [amino-[(E)-1-ethyl-4-methoxy-4-oxo-but-2-enyl]sulfanyl-methylene]ammonium; 4-nitrobenzenesulfonate CAS Name: [amino-[[(E)-6-methoxy-6-oxohex-4-en-3-yl]thio]methylidene]ammonium; 4-nitrobenzenesulfonate IUPAC Name: [amino-[(E)-6-methoxy-6-oxohex-4-en-3-yl]sulfanylmethylidene]azanium; 4-nitrobenzenesulfonate Traditional Name: [amino-[[(E)-1-ethyl-4-keto-4-methoxy-but-2-enyl]thio]methylene]ammonium; 4-nitrobesylate Formula: C14H19N3O7S2 MolecularWeight: 405.44656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O2S.C6H5NO5S/c1-3-6(13-8(9)10)4-5-7(11)12-2;8-7(9)5-1-3-6(4-2-5)13(10,11)12/h4-6H,3H2,1-2H3,(H3,9,10);1-4H,(H,10,11,12)/b5-4+;