sodium; 3-oxidanyl-3-oxidanylidene-prop-1-ene-2-sulfonate; prop-2-enenitrile

Systemtic Name: sodium; 3-oxidanyl-3-oxidanylidene-prop-1-ene-2-sulfonate; prop-2-enenitrile Openeye Name: sodium; 3-hydroxy-3-oxo-prop-1-ene-2-sulfonate; prop-2-enenitrile CAS Name: sodium; 3-hydroxy-3-oxo-1-propene-2-sulfonate; 2-propenenitrile IUPAC Name: sodium; 3-hydroxy-3-oxoprop-1-ene-2-sulfonate; prop-2-enenitrile Traditional Name: sodium; acrylonitrile; 3-hydroxy-3-keto-prop-1-ene-2-sulfonate Formula: C6H6NNaO5S MolecularWeight: 227.17031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H3N.C3H4O5S.Na/c1-2-3-4;1-2(3(4)5)9(6,7)8;/h2H,1H2;1H2,(H,4,5)(H,6,7,8);/q;;+1/p-1