(E)-2-methyl-3-oxidanylidene-3-(2-oxidanylpropoxy)prop-1-ene-1-sulfonic acid

Systemtic Name: (E)-2-methyl-3-oxidanylidene-3-(2-oxidanylpropoxy)prop-1-ene-1-sulfonic acid Openeye Name: (E)-3-(2-hydroxypropoxy)-2-methyl-3-oxo-prop-1-ene-1-sulfonic acid CAS Name: (E)-3-(2-hydroxypropoxy)-2-methyl-3-oxo-1-propene-1-sulfonic acid IUPAC Name: (E)-3-(2-hydroxypropoxy)-2-methyl-3-oxoprop-1-ene-1-sulfonic acid Traditional Name: (E)-3-(2-hydroxypropoxy)-3-keto-2-methyl-prop-1-ene-1-sulfonic acid Formula: C7H12O6S MolecularWeight: 224.23158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(=CS(=O)(=O)O)C)O

Isomeric SMILES

CC(COC(=O)/C(=C/S(=O)(=O)O)/C)O

InChI

InChI=1S/C7H12O6S/c1-5(4-14(10,11)12)7(9)13-3-6(2)8/h4,6,8H,3H2,1-2H3,(H,10,11,12)/b5-4+