dicalcium (1-oxidanyl-1-phosphono-octyl)phosphonic acid

Systemtic Name: dicalcium (1-oxidanyl-1-phosphono-octyl)phosphonic acid Openeye Name: dicalcium (1-hydroxy-1-phosphono-octyl)phosphonic acid CAS Name: dicalcium (1-hydroxy-1-phosphonooctyl)phosphonic acid IUPAC Name: dicalcium (1-hydroxy-1-phosphonooctyl)phosphonic acid Traditional Name: dicalcium (1-hydroxy-1-phosphono-octyl)phosphonic acid Formula: C8H20Ca2O7P2+4 MolecularWeight: 370.343722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.[Ca+2].[Ca+2]

Isomeric SMILES

CCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O.[Ca+2].[Ca+2]

InChI

InChI=1S/C8H20O7P2.2Ca/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15;;/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15);;/q;2*+2