2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: (2,4-dihydroxy-4-oxo-butyl)-trimethyl-ammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: (2,4-dihydroxy-4-oxobutyl)-trimethylammonium; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: (2,4-dihydroxy-4-oxobutyl)-trimethylazanium; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: (2,4-dihydroxy-4-keto-butyl)-trimethyl-ammonium; orotic acid Formula: C12H20N3O7+ MolecularWeight: 318.3031

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)O.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)O.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C7H15NO3.C5H4N2O4/c1-8(2,3)5-6(9)4-7(10)11;8-3-1-2(4(9)10)6-5(11)7-3/h6,9H,4-5H2,1-3H3;1H,(H,9,10)(H2,6,7,8,11)/p+1