1-(4-pyridin-4-ylpyridin-2-yl)propane-1-sulfonate

Systemtic Name: 1-(4-pyridin-4-ylpyridin-2-yl)propane-1-sulfonate Openeye Name: 1-[4-(4-pyridyl)-2-pyridyl]propane-1-sulfonate CAS Name: 1-(4-pyridin-4-yl-2-pyridinyl)-1-propanesulfonate IUPAC Name: 1-(4-pyridin-4-ylpyridin-2-yl)propane-1-sulfonate Traditional Name: 1-[4-(4-pyridyl)-2-pyridyl]propane-1-sulfonate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC=CC(=C1)C2=CC=NC=C2)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C1=NC=CC(=C1)C2=CC=NC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-2-13(19(16,17)18)12-9-11(5-8-15-12)10-3-6-14-7-4-10/h3-9,13H,2H2,1H3,(H,16,17,18)/p-1