1-oxidanyl-1,1-diphosphono-butane-2-sulfonic acid

Systemtic Name: 1-oxidanyl-1,1-diphosphono-butane-2-sulfonic acid Openeye Name: 1-hydroxy-1,1-diphosphono-butane-2-sulfonic acid CAS Name: 1-hydroxy-1,1-diphosphono-2-butanesulfonic acid IUPAC Name: 1-hydroxy-1,1-diphosphonobutane-2-sulfonic acid Traditional Name: 1-hydroxy-1,1-diphosphono-butane-2-sulfonic acid Formula: C4H12O10P2S MolecularWeight: 314.144602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(O)(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCC(C(O)(P(=O)(O)O)P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C4H12O10P2S/c1-2-3(17(12,13)14)4(5,15(6,7)8)16(9,10)11/h3,5H,2H2,1H3,(H2,6,7,8)(H2,9,10,11)(H,12,13,14)