(4S,5R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenethyl-4,5-dihydropyridazin-3-one

Systemtic Name: (4S,5R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenethyl-4,5-dihydropyridazin-3-one Openeye Name: (4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenethyl-4,5-dihydropyridazin-3-one CAS Name: (4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenethyl-4,5-dihydropyridazin-3-one IUPAC Name: (4S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenethyl-4,5-dihydropyridazin-3-one Traditional Name: (4S,5R)-4,5-dihydroxy-6-methylol-2-phenethyl-4,5-dihydropyridazin-3-one Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(C(=N2)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)[C@H]([C@@H](C(=N2)CO)O)O

InChI

InChI=1S/C13H16N2O4/c16-8-10-11(17)12(18)13(19)15(14-10)7-6-9-4-2-1-3-5-9/h1-5,11-12,16-18H,6-8H2/t11-,12+/m1/s1