[azanyl(2-azanylethylsulfanyl)methylidene]-(4-nitrophenyl)azanium sulfate

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-(4-nitrophenyl)azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-(4-nitrophenyl)ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-(4-nitrophenyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-(4-nitrophenyl)azanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-(4-nitrophenyl)ammonium sulfate Formula: C18H26N8O8S3 MolecularWeight: 578.64284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[NH+]=C(N)SCCN)[N+](=O)[O-].C1=CC(=CC=C1[NH+]=C(N)SCCN)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[NH+]=C(N)SCCN)[N+](=O)[O-].C1=CC(=CC=C1[NH+]=C(N)SCCN)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H12N4O2S.H2O4S/c2*10-5-6-16-9(11)12-7-1-3-8(4-2-7)13(14)15;1-5(2,3)4/h2*1-4H,5-6,10H2,(H2,11,12);(H2,1,2,3,4)