sodium; prop-2-enal; 2-sulfanylethanesulfonate

Systemtic Name: sodium; prop-2-enal; 2-sulfanylethanesulfonate Openeye Name: sodium; prop-2-enal; 2-sulfanylethanesulfonate CAS Name: sodium; 2-mercaptoethanesulfonate; 2-propenal IUPAC Name: sodium; prop-2-enal; 2-sulfanylethanesulfonate Traditional Name: sodium; acrolein; 2-mercaptoethanesulfonate Formula: C5H9NaO4S2 MolecularWeight: 220.24233

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=O.C(CS(=O)(=O)[O-])S.[Na+]

Isomeric SMILES

C=CC=O.C(CS(=O)(=O)[O-])S.[Na+]

InChI

InChI=1S/C3H4O.C2H6O3S2.Na/c1-2-3-4;3-7(4,5)2-1-6;/h2-3H,1H2;6H,1-2H2,(H,3,4,5);/q;;+1/p-1