5-phosphono-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid

Systemtic Name: 5-phosphono-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid Openeye Name: 5-phosphono-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid CAS Name: 5-phosphono-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid IUPAC Name: 5-phosphono-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid Traditional Name: 5-phosphono-2,4-dihydro-1H-isoquinoline-3,3-dicarboxylic acid Formula: C11H12NO7P MolecularWeight: 301.189241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CNC1(C(=O)O)C(=O)O)C=CC=C2P(=O)(O)O

Isomeric SMILES

C1C2=C(CNC1(C(=O)O)C(=O)O)C=CC=C2P(=O)(O)O

InChI

InChI=1S/C11H12NO7P/c13-9(14)11(10(15)16)4-7-6(5-12-11)2-1-3-8(7)20(17,18)19/h1-3,12H,4-5H2,(H,13,14)(H,15,16)(H2,17,18,19)