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

Systemtic Name: 2-phosphono-3-(2-pyridin-3-ylethyl)butanedioic acid Openeye Name: 2-phosphono-3-[2-(3-pyridyl)ethyl]butanedioic acid CAS Name: 2-phosphono-3-[2-(3-pyridinyl)ethyl]butanedioic acid IUPAC Name: 2-phosphono-3-(2-pyridin-3-ylethyl)butanedioic acid Traditional Name: 2-phosphono-3-[2-(3-pyridyl)ethyl]succinic acid Formula: C11H14NO7P MolecularWeight: 303.205121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NO7P/c13-10(14)8(9(11(15)16)20(17,18)19)4-3-7-2-1-5-12-6-7/h1-2,5-6,8-9H,3-4H2,(H,13,14)(H,15,16)(H2,17,18,19)