calcium (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: calcium (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid Openeye Name: calcium (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid CAS Name: calcium (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid IUPAC Name: calcium (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid Traditional Name: calcium (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid Formula: C8H26CaN2O14P4+2 MolecularWeight: 538.270084

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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