2-phosphono-3-(pyridin-3-ylmethyl)butanedioic acid

Systemtic Name: 2-phosphono-3-(pyridin-3-ylmethyl)butanedioic acid Openeye Name: 2-phosphono-3-(3-pyridylmethyl)butanedioic acid CAS Name: 2-phosphono-3-(3-pyridinylmethyl)butanedioic acid IUPAC Name: 2-phosphono-3-(pyridin-3-ylmethyl)butanedioic acid Traditional Name: 2-phosphono-3-(3-pyridylmethyl)succinic acid Formula: C10H12NO7P MolecularWeight: 289.178541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC(C(C(=O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C10H12NO7P/c12-9(13)7(4-6-2-1-3-11-5-6)8(10(14)15)19(16,17)18/h1-3,5,7-8H,4H2,(H,12,13)(H,14,15)(H2,16,17,18)