3-(2,2-diphosphonoethylamino)propane-1-sulfonic acid

Systemtic Name: 3-(2,2-diphosphonoethylamino)propane-1-sulfonic acid Openeye Name: 3-(2,2-diphosphonoethylamino)propane-1-sulfonic acid CAS Name: 3-(2,2-diphosphonoethylamino)-1-propanesulfonic acid IUPAC Name: 3-(2,2-diphosphonoethylamino)propane-1-sulfonic acid Traditional Name: 3-(2,2-diphosphonoethylamino)propane-1-sulfonic acid Formula: C5H15NO9P2S MolecularWeight: 327.186422

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Descriptors Computed from Structure

Canonical SMILES:

C(CNCC(P(=O)(O)O)P(=O)(O)O)CS(=O)(=O)O

Isomeric SMILES

C(CNCC(P(=O)(O)O)P(=O)(O)O)CS(=O)(=O)O

InChI

InChI=1S/C5H15NO9P2S/c7-16(8,9)5(17(10,11)12)4-6-2-1-3-18(13,14)15/h5-6H,1-4H2,(H2,7,8,9)(H2,10,11,12)(H,13,14,15)