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

Systemtic Name: 2-(1-pyridin-4-yl-2-sulfo-butyl)pentanedioic acid Openeye Name: 2-[1-(4-pyridyl)-2-sulfo-butyl]pentanedioic acid CAS Name: 2-(1-pyridin-4-yl-2-sulfobutyl)pentanedioic acid IUPAC Name: 2-(1-pyridin-4-yl-2-sulfobutyl)pentanedioic acid Traditional Name: 2-[1-(4-pyridyl)-2-sulfo-butyl]glutaric acid Formula: C14H19NO7S MolecularWeight: 345.36816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO7S/c1-2-11(23(20,21)22)13(9-5-7-15-8-6-9)10(14(18)19)3-4-12(16)17/h5-8,10-11,13H,2-4H2,1H3,(H,16,17)(H,18,19)(H,20,21,22)