sodium (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate dimethanoate

Systemtic Name: sodium (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate dimethanoate Openeye Name: sodium (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate diformate CAS Name: sodium (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate diformate IUPAC Name: sodium (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate diformate Traditional Name: sodium (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate diformate Formula: C10H12NNaO10P- MolecularWeight: 360.166511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.C(=O)[O-].C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.C(=O)[O-].C(=O)[O-].[Na+]

InChI

InChI=1S/C8H10NO6P.2CH2O2.Na/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;2*2-1-3;/h2-3,11H,4H2,1H3,(H2,12,13,14);2*1H,(H,2,3);/q;;;+1/p-2