dihydrogen phosphate; 3-(pyrimidin-1-ium-4-ylmethylsulfanyl)propane-1,2-diol

Systemtic Name: dihydrogen phosphate; 3-(pyrimidin-1-ium-4-ylmethylsulfanyl)propane-1,2-diol Openeye Name: dihydrogen phosphate; 3-(pyrimidin-1-ium-4-ylmethylsulfanyl)propane-1,2-diol CAS Name: dihydrogen phosphate; 3-(4-pyrimidin-1-iumylmethylthio)propane-1,2-diol IUPAC Name: dihydrogen phosphate; 3-(pyrimidin-1-ium-4-ylmethylsulfanyl)propane-1,2-diol Traditional Name: dihydrogen phosphate; 3-(pyrimidin-1-ium-4-ylmethylthio)propane-1,2-diol Formula: C8H15N2O6PS MolecularWeight: 298.253261

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CN=C1CSCC(CO)O.OP(=O)(O)[O-]

Isomeric SMILES

C1=C[NH+]=CN=C1CSCC(CO)O.OP(=O)(O)[O-]

InChI

InChI=1S/C8H12N2O2S.H3O4P/c11-3-8(12)5-13-4-7-1-2-9-6-10-7;1-5(2,3)4/h1-2,6,8,11-12H,3-5H2;(H3,1,2,3,4)