2-[1-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(1-carboxypentyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-(1-hydroxy-1-oxohexan-2-yl)-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(1-hydroxy-1-oxohexan-2-yl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(1-carboxypentyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C13H19NO5S MolecularWeight: 301.35866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1=CC=C(C=C1)CCS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)[N+]1=CC=C(C=C1)CCS(=O)(=O)[O-]

InChI

InChI=1S/C13H19NO5S/c1-2-3-4-12(13(15)16)14-8-5-11(6-9-14)7-10-20(17,18)19/h5-6,8-9,12H,2-4,7,10H2,1H3,(H-,15,16,17,18,19)