disodium [2-[4-(sulfonatooxymethyl)pyridin-2-yl]pyridin-4-yl]methyl sulfate

Systemtic Name: disodium [2-[4-(sulfonatooxymethyl)pyridin-2-yl]pyridin-4-yl]methyl sulfate Openeye Name: disodium [2-[4-(sulfonatooxymethyl)-2-pyridyl]-4-pyridyl]methyl sulfate CAS Name: disodium [2-[4-(sulfonatooxymethyl)-2-pyridinyl]-4-pyridinyl]methyl sulfate IUPAC Name: disodium [2-[4-(sulfonatooxymethyl)pyridin-2-yl]pyridin-4-yl]methyl sulfate Traditional Name: disodium [2-[4-(sulfatomethyl)-2-pyridyl]-4-pyridyl]methyl sulfate Formula: C12H10N2Na2O8S2 MolecularWeight: 420.32594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1COS(=O)(=O)[O-])C2=NC=CC(=C2)COS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CN=C(C=C1COS(=O)(=O)[O-])C2=NC=CC(=C2)COS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H12N2O8S2.2Na/c15-23(16,17)21-7-9-1-3-13-11(5-9)12-6-10(2-4-14-12)8-22-24(18,19)20;;/h1-6H,7-8H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2