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3-oxidanyl-3,3-diphosphono-propane-1-sulfonate; tributylazanium

3-oxidanyl-3,3-diphosphono-propane-1-sulfonate; tributylazanium

Systemtic Name:3-oxidanyl-3,3-diphosphono-propane-1-sulfonate; tributylazanium
Openeye Name:3-hydroxy-3,3-diphosphono-propane-1-sulfonate; tributylammonium
CAS Name:3-hydroxy-3,3-diphosphono-1-propanesulfonate; tributylammonium
IUPAC Name:3-hydroxy-3,3-diphosphonopropane-1-sulfonate; tributylazanium
Traditional Name:3-hydroxy-3,3-diphosphono-propane-1-sulfonate; tributylammonium
Formula: C15H37NO10P2S
MolecularWeight: 485.467502
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C(CS(=O)(=O)[O-])C(O)(P(=O)(O)O)P(=O)(O)O


Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C(CS(=O)(=O)[O-])C(O)(P(=O)(O)O)P(=O)(O)O


InChI

InChI=1S/C12H27N.C3H10O10P2S/c1-4-7-10-13(11-8-5-2)12-9-6-3;4-3(14(5,6)7,15(8,9)10)1-2-16(11,12)13/h4-12H2,1-3H3;4H,1-2H2,(H2,5,6,7)(H2,8,9,10)(H,11,12,13)


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