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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15O6P2.3Na/c1-7(5-8)3-2-4-14(9,10)6-15(11,12)13;;;/h3H,2,4-6H2,1H3,(H,9,10)(H2,11,12,13);;;/q-1;3*+1/p-2/b7-3+;;;