2-(1-pyridin-4-yl-2-sulfo-ethyl)pentanedioic acid

Systemtic Name: 2-(1-pyridin-4-yl-2-sulfo-ethyl)pentanedioic acid Openeye Name: 2-[1-(4-pyridyl)-2-sulfo-ethyl]pentanedioic acid CAS Name: 2-(1-pyridin-4-yl-2-sulfoethyl)pentanedioic acid IUPAC Name: 2-(1-pyridin-4-yl-2-sulfoethyl)pentanedioic acid Traditional Name: 2-[1-(4-pyridyl)-2-sulfo-ethyl]glutaric acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(CS(=O)(=O)O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=CC=C1C(CS(=O)(=O)O)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO7S/c14-11(15)2-1-9(12(16)17)10(7-21(18,19)20)8-3-5-13-6-4-8/h3-6,9-10H,1-2,7H2,(H,14,15)(H,16,17)(H,18,19,20)