disodium [2-[4-(sulfonatomethyl)pyridin-2-yl]pyridin-4-yl]methanesulfonate

Systemtic Name: disodium [2-[4-(sulfonatomethyl)pyridin-2-yl]pyridin-4-yl]methanesulfonate Openeye Name: disodium [2-[4-(sulfonatomethyl)-2-pyridyl]-4-pyridyl]methanesulfonate CAS Name: disodium [2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate IUPAC Name: disodium [2-[4-(sulfonatomethyl)pyridin-2-yl]pyridin-4-yl]methanesulfonate Traditional Name: disodium [2-[4-(sulfonatomethyl)-2-pyridyl]-4-pyridyl]methanesulfonate Formula: C12H10N2Na2O6S2 MolecularWeight: 388.32714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1CS(=O)(=O)[O-])C2=NC=CC(=C2)CS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CN=C(C=C1CS(=O)(=O)[O-])C2=NC=CC(=C2)CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H12N2O6S2.2Na/c15-21(16,17)7-9-1-3-13-11(5-9)12-6-10(2-4-14-12)8-22(18,19)20;;/h1-6H,7-8H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2