5-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-1,3-diazinane-2,4,6-trione hydrate

Systemtic Name: 5-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-1,3-diazinane-2,4,6-trione hydrate Openeye Name: 5-(2-hydroxy-1,3-dioxo-indan-2-yl)hexahydropyrimidine-2,4,6-trione hydrate CAS Name: 5-(2-hydroxy-1,3-dioxo-2-indenyl)-1,3-diazinane-2,4,6-trione hydrate IUPAC Name: 5-(2-hydroxy-1,3-dioxoinden-2-yl)-1,3-diazinane-2,4,6-trione hydrate Traditional Name: 5-(2-hydroxy-1,3-diketo-indan-2-yl)barbituric acid hydrate Formula: C13H10N2O7 MolecularWeight: 306.2277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)(C3C(=O)NC(=O)NC3=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)(C3C(=O)NC(=O)NC3=O)O.O

InChI

InChI=1S/C13H8N2O6.H2O/c16-8-5-3-1-2-4-6(5)9(17)13(8,21)7-10(18)14-12(20)15-11(7)19;/h1-4,7,21H,(H2,14,15,18,19,20);1H2