(E)-but-2-enedioate; methanesulfonate

Systemtic Name: (E)-but-2-enedioate; methanesulfonate Openeye Name: (E)-but-2-enedioate; methanesulfonate CAS Name: (E)-2-butenedioate; methanesulfonate IUPAC Name: (E)-but-2-enedioate; methanesulfonate Traditional Name: fumarate mesylate Formula: C5H5O7S-3 MolecularWeight: 209.154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C4H4O4.CH4O3S/c5-3(6)1-2-4(7)8;1-5(2,3)4/h1-2H,(H,5,6)(H,7,8);1H3,(H,2,3,4)/p-3/b2-1+;