trisodium; 2-methylbuta-1,3-diene; (1E)-3-methylbuta-1,3-diene-1-sulfonate; sulfite

Systemtic Name: trisodium; 2-methylbuta-1,3-diene; (1E)-3-methylbuta-1,3-diene-1-sulfonate; sulfite Openeye Name: trisodium; 2-methylbuta-1,3-diene; (1E)-3-methylbuta-1,3-diene-1-sulfonate; sulfite CAS Name: trisodium; 2-methylbuta-1,3-diene; (1E)-3-methyl-1-buta-1,3-dienesulfonate; sulfite IUPAC Name: trisodium; 2-methylbuta-1,3-diene; (1E)-3-methylbuta-1,3-diene-1-sulfonate; sulfite Traditional Name: trisodium; 2-methylbuta-1,3-diene; (1E)-3-methylbuta-1,3-diene-1-sulfonate; sulfite Formula: C10H14Na3O6S2- MolecularWeight: 363.31387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O3S.C5H7.3Na.H2O3S/c1-5(2)3-4-9(6,7)8;1-4-5(2)3;;;;1-4(2)3/h3-4H,1H2,2H3,(H,6,7,8);2,4H,1H2,3H3;;;;(H2,1,2,3)/q;-1;3*+1;/p-3/b4-3+;;;;;