3-pyridin-3-yl-3-sulfo-propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-sulfo-propanoic acid Openeye Name: 3-(3-pyridyl)-3-sulfo-propanoic acid CAS Name: 3-(3-pyridinyl)-3-sulfopropanoic acid IUPAC Name: 3-pyridin-3-yl-3-sulfopropanoic acid Traditional Name: 3-(3-pyridyl)-3-sulfo-propionic acid Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H9NO5S/c10-8(11)4-7(15(12,13)14)6-2-1-3-9-5-6/h1-3,5,7H,4H2,(H,10,11)(H,12,13,14)