2-phosphonoethanoic acid; 4-pyrimidin-2-ylbutanoic acid

Systemtic Name: 2-phosphonoethanoic acid; 4-pyrimidin-2-ylbutanoic acid Openeye Name: 2-phosphonoacetic acid; 4-pyrimidin-2-ylbutanoic acid CAS Name: 2-phosphonoacetic acid; 4-(2-pyrimidinyl)butanoic acid IUPAC Name: 2-phosphonoacetic acid; 4-pyrimidin-2-ylbutanoic acid Traditional Name: 2-phosphonoacetic acid; 4-(2-pyrimidyl)butyric acid Formula: C10H15N2O7P MolecularWeight: 306.209061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)CCCC(=O)O.C(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CN=C(N=C1)CCCC(=O)O.C(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C8H10N2O2.C2H5O5P/c11-8(12)4-1-3-7-9-5-2-6-10-7;3-2(4)1-8(5,6)7/h2,5-6H,1,3-4H2,(H,11,12);1H2,(H,3,4)(H2,5,6,7)