trisodium [(E)-3-methyl-4-oxidanyl-but-2-enyl]sulfanyl-phosphonatooxy-phosphinate

Systemtic Name: trisodium [(E)-3-methyl-4-oxidanyl-but-2-enyl]sulfanyl-phosphonatooxy-phosphinate Openeye Name: trisodium [(E)-4-hydroxy-3-methyl-but-2-enyl]sulfanyl-phosphonatooxy-phosphinate CAS Name: trisodium [[(E)-4-hydroxy-3-methylbut-2-enyl]thio]-phosphonatooxyphosphinate IUPAC Name: trisodium [(E)-4-hydroxy-3-methylbut-2-enyl]sulfanyl-phosphonatooxyphosphinate Traditional Name: trisodium [[(E)-4-hydroxy-3-methyl-but-2-enyl]thio]-phosphato-phosphinate Formula: C5H9Na3O7P2S MolecularWeight: 344.102592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\CSP(=O)([O-])OP(=O)([O-])[O-])/CO.[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H12O7P2S.3Na/c1-5(4-6)2-3-15-14(10,11)12-13(7,8)9;;;/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9);;;/q;3*+1/p-3/b5-2+;;;