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

Systemtic Name: 2-(1-pyridin-4-yl-2-sulfo-propyl)pentanedioic acid Openeye Name: 2-[1-(4-pyridyl)-2-sulfo-propyl]pentanedioic acid CAS Name: 2-(1-pyridin-4-yl-2-sulfopropyl)pentanedioic acid IUPAC Name: 2-(1-pyridin-4-yl-2-sulfopropyl)pentanedioic acid Traditional Name: 2-[1-(4-pyridyl)-2-sulfo-propyl]glutaric acid Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=NC=C1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C(C1=CC=NC=C1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H17NO7S/c1-8(22(19,20)21)12(9-4-6-14-7-5-9)10(13(17)18)2-3-11(15)16/h4-8,10,12H,2-3H2,1H3,(H,15,16)(H,17,18)(H,19,20,21)