[3-ethanoyl-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] phosphate; pyridin-1-ium

Systemtic Name: [3-ethanoyl-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] phosphate; pyridin-1-ium Openeye Name: (3-acetyl-2,3-dihydroxy-4-oxo-pentyl) phosphate; pyridin-1-ium CAS Name: (3-acetyl-2,3-dihydroxy-4-oxopentyl) phosphate; pyridin-1-ium IUPAC Name: (3-acetyl-2,3-dihydroxy-4-oxopentyl) phosphate; pyridin-1-ium Traditional Name: (3-acetyl-2,3-dihydroxy-4-keto-pentyl) phosphate; pyridin-1-ium Formula: C17H23N2O8P MolecularWeight: 414.346881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(COP(=O)([O-])[O-])O)(C(=O)C)O.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1

Isomeric SMILES

CC(=O)C(C(COP(=O)([O-])[O-])O)(C(=O)C)O.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1

InChI

InChI=1S/C7H13O8P.2C5H5N/c1-4(8)7(11,5(2)9)6(10)3-15-16(12,13)14;2*1-2-4-6-5-3-1/h6,10-11H,3H2,1-2H3,(H2,12,13,14);2*1-5H