2,4'-isomersodium picosulfate (Q27274206)

Disodium 2-{2-pyridinyl[4-(sulfonatooxy)phenyl]methyl}phenyl sulfate (English)

14 October 2016

chemical formula

C₁₈H₁₃NNa₂O₈S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=CC=N3)OS(=O)(=O)[O-].[Na+].[Na+]

1 reference

stated in

2,4'-isomersodium picosulfate (English)

InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2

14 October 2016

Identifiers

InChI

1 reference

stated in

2,4'-isomersodium picosulfate (English)

BCLUBMNWNDZSHE-UHFFFAOYSA-L

14 October 2016

InChIKey

1 reference

stated in

2,4'-isomersodium picosulfate (English)

14 October 2016

1 reference

matched by identifier from

Disodium 2-{2-pyridinyl[4-(sulfonatooxy)phenyl]methyl}phenyl sulfate (English)

14 October 2016

2 references

26 December 2021

InChIKey

BCLUBMNWNDZSHE-UHFFFAOYSA-L

1 reference

2 references

2,4'-isomersodium picosulfate (English)