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

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

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

Canonical SMILES:

CC(CNCC(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O


Isomeric SMILES

CC(CNCC(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O


InChI

InChI=1S/C5H15NO9P2S/c1-4(18(13,14)15)2-6-3-5(16(7,8)9)17(10,11)12/h4-6H,2-3H2,1H3,(H2,7,8,9)(H2,10,11,12)(H,13,14,15)


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