5-methyl-4-oxidanylidene-2-sulfooxy-hex-5-ene-3-sulfonic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-sulfooxy-hex-5-ene-3-sulfonic acid Openeye Name: 5-methyl-4-oxo-2-sulfooxy-hex-5-ene-3-sulfonic acid CAS Name: 5-methyl-4-oxo-2-sulfooxy-5-hexene-3-sulfonic acid IUPAC Name: 5-methyl-4-oxo-2-sulfooxyhex-5-ene-3-sulfonic acid Traditional Name: 4-keto-5-methyl-2-sulfoxy-hex-5-ene-3-sulfonic acid Formula: C7H12O8S2 MolecularWeight: 288.29538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C(=C)C)S(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(C(C(=O)C(=C)C)S(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C7H12O8S2/c1-4(2)6(8)7(16(9,10)11)5(3)15-17(12,13)14/h5,7H,1H2,2-3H3,(H,9,10,11)(H,12,13,14)