2-[1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-[2-hydroxy-3-(4-nitrophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate Formula: C16H18N2O7S MolecularWeight: 382.38832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-])O

InChI

InChI=1S/C16H18N2O7S/c19-15(12-25-16-3-1-14(2-4-16)18(20)21)11-17-8-5-13(6-9-17)7-10-26(22,23)24/h1-6,8-9,15,19H,7,10-12H2