2-ethoxycarbothioylsulfanyl-N1,N3,N5-tris(oxidanyl)benzene-1,3,5-triamine oxide

Systemtic Name: 2-ethoxycarbothioylsulfanyl-N1,N3,N5-tris(oxidanyl)benzene-1,3,5-triamine oxide Openeye Name: 2-ethoxycarbothioylsulfanyl-N1,N3,N5-trihydroxy-benzene-1,3,5-triamine oxide CAS Name: 2-[[ethoxy(sulfanylidene)methyl]thio]-N1,N3,N5-trihydroxybenzene-1,3,5-triamine oxide IUPAC Name: 2-ethoxycarbothioylsulfanyl-1-N,3-N,5-N-trihydroxybenzene-1,3,5-triamine oxide Traditional Name: 2-(ethoxycarbothioylthio)-N1,N3,N5-trihydroxy-benzene-1,3,5-triamine oxide Formula: C9H13N3O7S2 MolecularWeight: 339.34542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1=C(C=C(C=C1[NH+](O)[O-])[NH+](O)[O-])[NH+](O)[O-]

Isomeric SMILES

CCOC(=S)SC1=C(C=C(C=C1[NH+](O)[O-])[NH+](O)[O-])[NH+](O)[O-]

InChI

InChI=1S/C9H13N3O7S2/c1-2-19-9(20)21-8-6(11(15)16)3-5(10(13)14)4-7(8)12(17)18/h3-4,10-13,15,17H,2H2,1H3