dicalcium 1,1-diphosphonatooctan-1-ol

Systemtic Name: dicalcium 1,1-diphosphonatooctan-1-ol Openeye Name: dicalcium 1,1-diphosphonatooctan-1-ol CAS Name: dicalcium 1,1-diphosphonato-1-octanol IUPAC Name: dicalcium 1,1-diphosphonatooctan-1-ol Traditional Name: dicalcium 1,1-diphosphonatooctan-1-ol Formula: C8H16Ca2O7P2 MolecularWeight: 366.311962

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/p-4