disodium [[oxidanidyl(oxidanyl)phosphoryl]-(phenylcarbamothioylamino)methyl]-oxidanyl-phosphinate trihydrate

Systemtic Name: disodium [[oxidanidyl(oxidanyl)phosphoryl]-(phenylcarbamothioylamino)methyl]-oxidanyl-phosphinate trihydrate Openeye Name: disodium hydroxy-[[hydroxy(oxido)phosphoryl]-(phenylcarbamothioylamino)methyl]phosphinate trihydrate CAS Name: disodium [[[anilino(sulfanylidene)methyl]amino]-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate trihydrate IUPAC Name: disodium hydroxy-[[hydroxy(oxido)phosphoryl]-(phenylcarbamothioylamino)methyl]phosphinate trihydrate Traditional Name: disodium hydroxy-[[hydroxy(oxido)phosphoryl]-(phenylthiocarbamoylamino)methyl]phosphinate trihydrate Formula: C8H16N2Na2O9P2S MolecularWeight: 424.212702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(P(=O)(O)[O-])P(=O)(O)[O-].O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(P(=O)(O)[O-])P(=O)(O)[O-].O.O.O.[Na+].[Na+]

InChI

InChI=1S/C8H12N2O6P2S.2Na.3H2O/c11-17(12,13)8(18(14,15)16)10-7(19)9-6-4-2-1-3-5-6;;;;;/h1-5,8H,(H2,9,10,19)(H2,11,12,13)(H2,14,15,16);;;3*1H2/q;2*+1;;;/p-2