disodium [(4-tert-butylsulfanylbutylamino)-phosphonato-methyl]phosphonic acid

Systemtic Name: disodium [(4-tert-butylsulfanylbutylamino)-phosphonato-methyl]phosphonic acid Openeye Name: disodium [(4-tert-butylsulfanylbutylamino)-phosphonato-methyl]phosphonic acid CAS Name: disodium [[4-(tert-butylthio)butylamino]-phosphonatomethyl]phosphonic acid IUPAC Name: disodium [(4-tert-butylsulfanylbutylamino)-phosphonatomethyl]phosphonic acid Traditional Name: disodium [[4-(tert-butylthio)butylamino]-phosphonato-methyl]phosphonic acid Formula: C9H21NNa2O6P2S MolecularWeight: 379.258202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCCCNC(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)SCCCCNC(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C9H23NO6P2S.2Na/c1-9(2,3)19-7-5-4-6-10-8(17(11,12)13)18(14,15)16;;/h8,10H,4-7H2,1-3H3,(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-2