8-oxidanyl-8,8-diphosphono-octane-1-sulfonic acid

Systemtic Name: 8-oxidanyl-8,8-diphosphono-octane-1-sulfonic acid Openeye Name: 8-hydroxy-8,8-diphosphono-octane-1-sulfonic acid CAS Name: 8-hydroxy-8,8-diphosphono-1-octanesulfonic acid IUPAC Name: 8-hydroxy-8,8-diphosphonooctane-1-sulfonic acid Traditional Name: 8-hydroxy-8,8-diphosphono-octane-1-sulfonic acid Formula: C8H20O10P2S MolecularWeight: 370.250922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(O)(P(=O)(O)O)P(=O)(O)O)CCCS(=O)(=O)O

Isomeric SMILES

C(CCCC(O)(P(=O)(O)O)P(=O)(O)O)CCCS(=O)(=O)O

InChI

InChI=1S/C8H20O10P2S/c9-8(19(10,11)12,20(13,14)15)6-4-2-1-3-5-7-21(16,17)18/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15)(H,16,17,18)