[2-[4-(sulfooxymethyl)pyridin-2-yl]pyridin-4-yl]methyl hydrogen sulfate

Systemtic Name: [2-[4-(sulfooxymethyl)pyridin-2-yl]pyridin-4-yl]methyl hydrogen sulfate Openeye Name: [2-[4-(sulfooxymethyl)-2-pyridyl]-4-pyridyl]methyl hydrogen sulfate CAS Name: sulfuric acid [2-[4-(sulfooxymethyl)-2-pyridinyl]-4-pyridinyl]methyl ester IUPAC Name: [2-[4-(sulfooxymethyl)pyridin-2-yl]pyridin-4-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [2-[4-(sulfoxymethyl)-2-pyridyl]-4-pyridyl]methyl ester Formula: C12H12N2O8S2 MolecularWeight: 376.36228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1COS(=O)(=O)O)C2=NC=CC(=C2)COS(=O)(=O)O

Isomeric SMILES

C1=CN=C(C=C1COS(=O)(=O)O)C2=NC=CC(=C2)COS(=O)(=O)O

InChI

InChI=1S/C12H12N2O8S2/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)