trisodium 2-methyl-5-[oxidanyl(phosphonatomethyl)phosphoryl]pent-1-en-3-olate

Systemtic Name: trisodium 2-methyl-5-[oxidanyl(phosphonatomethyl)phosphoryl]pent-1-en-3-olate Openeye Name: trisodium 5-[hydroxy(phosphonatomethyl)phosphoryl]-2-methyl-pent-1-en-3-olate CAS Name: trisodium 5-[hydroxy(phosphonatomethyl)phosphoryl]-2-methyl-1-penten-3-olate IUPAC Name: trisodium 5-[hydroxy(phosphonatomethyl)phosphoryl]-2-methylpent-1-en-3-olate Traditional Name: trisodium 5-[hydroxy(phosphonatomethyl)phosphoryl]-2-methyl-pent-1-en-3-olate Formula: C7H13Na3O6P2 MolecularWeight: 324.091352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCP(=O)(CP(=O)([O-])[O-])O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=C)C(CCP(=O)(CP(=O)([O-])[O-])O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C7H15O6P2.3Na/c1-6(2)7(8)3-4-14(9,10)5-15(11,12)13;;;/h7H,1,3-5H2,2H3,(H,9,10)(H2,11,12,13);;;/q-1;3*+1/p-2