trisodium [(E)-3-methyl-4-oxidanyl-but-2-enoxy]-(phosphonatomethyl)phosphinate

Systemtic Name: trisodium [(E)-3-methyl-4-oxidanyl-but-2-enoxy]-(phosphonatomethyl)phosphinate Openeye Name: trisodium [(E)-4-hydroxy-3-methyl-but-2-enoxy]-(phosphonatomethyl)phosphinate CAS Name: trisodium [(E)-4-hydroxy-3-methylbut-2-enoxy]-(phosphonatomethyl)phosphinate IUPAC Name: trisodium [(E)-4-hydroxy-3-methylbut-2-enoxy]-(phosphonatomethyl)phosphinate Traditional Name: trisodium [(E)-4-hydroxy-3-methyl-but-2-enoxy]-(phosphonatomethyl)phosphinate Formula: C6H11Na3O7P2 MolecularWeight: 326.064172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)(CP(=O)([O-])[O-])[O-])CO.[Na+].[Na+].[Na+]

Isomeric SMILES

C/C(=C\COP(=O)(CP(=O)([O-])[O-])[O-])/CO.[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H14O7P2.3Na/c1-6(4-7)2-3-13-15(11,12)5-14(8,9)10;;;/h2,7H,3-5H2,1H3,(H,11,12)(H2,8,9,10);;;/q;3*+1/p-3/b6-2+;;;