trisodium 3-oxidanylbutylsulfanyl(phosphonatooxy)phosphinate

Systemtic Name: trisodium 3-oxidanylbutylsulfanyl(phosphonatooxy)phosphinate Openeye Name: trisodium 3-hydroxybutylsulfanyl(phosphonatooxy)phosphinate CAS Name: trisodium (3-hydroxybutylthio)-phosphonatooxyphosphinate IUPAC Name: trisodium 3-hydroxybutylsulfanyl(phosphonatooxy)phosphinate Traditional Name: trisodium (3-hydroxybutylthio)-phosphato-phosphinate Formula: C4H9Na3O7P2S MolecularWeight: 332.091892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(CCSP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C4H12O7P2S.3Na/c1-4(5)2-3-14-13(9,10)11-12(6,7)8;;;/h4-5H,2-3H2,1H3,(H,9,10)(H2,6,7,8);;;/q;3*+1/p-3