[1-azanyl-3-(methylsulfonimidoyl)propyl]phosphonic acid; 2,4,6-trinitrophenolate

Systemtic Name: [1-azanyl-3-(methylsulfonimidoyl)propyl]phosphonic acid; 2,4,6-trinitrophenolate Openeye Name: [1-amino-3-(methylsulfonimidoyl)propyl]phosphonic acid; 2,4,6-trinitrophenolate CAS Name: [1-amino-3-(methylsulfonimidoyl)propyl]phosphonic acid; 2,4,6-trinitrophenolate IUPAC Name: [1-amino-3-(methylsulfonimidoyl)propyl]phosphonic acid; 2,4,6-trinitrophenolate Traditional Name: [1-amino-3-(methylsulfonimidoyl)propyl]phosphonic acid picrate Formula: C10H15N5O11PS- MolecularWeight: 444.291761

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Descriptors Computed from Structure

Canonical SMILES:

CS(=N)(=O)CCC(N)P(=O)(O)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=N)(=O)CCC(N)P(=O)(O)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C4H13N2O4PS/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-12(6,10)3-2-4(5)11(7,8)9/h1-2,10H;4,6H,2-3,5H2,1H3,(H2,7,8,9)/p-1