trisodium [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonatooxy-phosphinate

Systemtic Name: trisodium [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonatooxy-phosphinate Openeye Name: trisodium [(E)-5-hydroxy-4-methyl-pent-3-enyl]-phosphonatooxy-phosphinate CAS Name: trisodium [(E)-5-hydroxy-4-methylpent-3-enyl]-phosphonatooxyphosphinate IUPAC Name: trisodium [(E)-5-hydroxy-4-methylpent-3-enyl]-phosphonatooxyphosphinate Traditional Name: trisodium [(E)-5-hydroxy-4-methyl-pent-3-enyl]-phosphato-phosphinate Formula: C6H11Na3O7P2 MolecularWeight: 326.064172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O7P2.3Na/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12;;;/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12);;;/q;3*+1/p-3/b6-3+;;;