(4,4-dimethylpyridin-1-yl)-pyridin-3-yl-methanone; ethanedioate; hydrate

Systemtic Name: (4,4-dimethylpyridin-1-yl)-pyridin-3-yl-methanone; ethanedioate; hydrate Openeye Name: (4,4-dimethyl-1-pyridyl)-(3-pyridyl)methanone; oxalate; hydrate CAS Name: (4,4-dimethyl-1-pyridinyl)-(3-pyridinyl)methanone; oxalate; hydrate IUPAC Name: (4,4-dimethylpyridin-1-yl)-pyridin-3-ylmethanone; oxalate; hydrate Traditional Name: (4,4-dimethyl-1-pyridyl)-(3-pyridyl)methanone; oxalate; hydrate Formula: C15H16N2O6-2 MolecularWeight: 320.29734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CN(C=C1)C(=O)C2=CN=CC=C2)C.C(=O)(C(=O)[O-])[O-].O

Isomeric SMILES

CC1(C=CN(C=C1)C(=O)C2=CN=CC=C2)C.C(=O)(C(=O)[O-])[O-].O

InChI

InChI=1S/C13H14N2O.C2H2O4.H2O/c1-13(2)5-8-15(9-6-13)12(16)11-4-3-7-14-10-11;3-1(4)2(5)6;/h3-10H,1-2H3;(H,3,4)(H,5,6);1H2/p-2