sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane

Systemtic Name: sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane Openeye Name: sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane CAS Name: sodium; (E)-2-butene-1,4-diol; hydrogen sulfite; 2-methyloxirane IUPAC Name: sodium; (E)-but-2-ene-1,4-diol; hydrogen sulfite; 2-methyloxirane Traditional Name: sodium; (E)-but-2-ene-1,4-diol; propylene oxide; bisulfite Formula: C7H15NaO6S MolecularWeight: 250.24517

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Descriptors Computed from Structure

Canonical SMILES:

CC1CO1.C(C=CCO)O.OS(=O)[O-].[Na+]

Isomeric SMILES

CC1CO1.C(/C=C/CO)O.OS(=O)[O-].[Na+]

InChI

InChI=1S/C4H8O2.C3H6O.Na.H2O3S/c5-3-1-2-4-6;1-3-2-4-3;;1-4(2)3/h1-2,5-6H,3-4H2;3H,2H2,1H3;;(H2,1,2,3)/q;;+1;/p-1/b2-1+;;;