calcium (4-azanyl-1-oxidanyl-1-phosphono-butyl)-oxidanyl-phosphinate

Systemtic Name: calcium (4-azanyl-1-oxidanyl-1-phosphono-butyl)-oxidanyl-phosphinate Openeye Name: calcium (4-amino-1-hydroxy-1-phosphono-butyl)-hydroxy-phosphinate CAS Name: calcium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate IUPAC Name: calcium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate Traditional Name: calcium (4-amino-1-hydroxy-1-phosphono-butyl)-hydroxy-phosphinate Formula: C8H24CaN2O14P4 MolecularWeight: 536.254204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Ca+2]

Isomeric SMILES

C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Ca+2]

InChI

InChI=1S/2C4H13NO7P2.Ca/c2*5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h2*6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;;+2/p-2