1-methylpyridin-1-ium; sulfonatomethoxymethanesulfonate

Systemtic Name: 1-methylpyridin-1-ium; sulfonatomethoxymethanesulfonate Openeye Name: 1-methylpyridin-1-ium; sulfonatomethoxymethanesulfonate CAS Name: 1-methylpyridin-1-ium; sulfonatomethoxymethanesulfonate IUPAC Name: 1-methylpyridin-1-ium; sulfonatomethoxymethanesulfonate Traditional Name: 1-methylpyridin-1-ium; sulfonatomethoxymethanesulfonate Formula: C14H20N2O7S2 MolecularWeight: 392.4478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1.C[N+]1=CC=CC=C1.C(OCS(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1.C[N+]1=CC=CC=C1.C(OCS(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/2C6H8N.C2H6O7S2/c2*1-7-5-3-2-4-6-7;3-10(4,5)1-9-2-11(6,7)8/h2*2-6H,1H3;1-2H2,(H,3,4,5)(H,6,7,8)/q2*+1;/p-2