(2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 2-methyl-1,2-dipyridin-3-yl-propan-1-one

Systemtic Name: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 2-methyl-1,2-dipyridin-3-yl-propan-1-one Openeye Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-methyl-1,2-bis(3-pyridyl)propan-1-one CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-methyl-1,2-bis(3-pyridinyl)-1-propanone IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-methyl-1,2-dipyridin-3-ylpropan-1-one Traditional Name: (2R,3R)-2,3-dihydroxysuccinic acid; 2-methyl-1,2-bis(3-pyridyl)propan-1-one Formula: C22H26N2O13 MolecularWeight: 526.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C14H14N2O.2C4H6O6/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11;2*5-1(3(7)8)2(6)4(9)10/h3-10H,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.11/s1