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

Systemtic Name: 5-methyl-4-oxidanylidene-hex-5-ene-2-sulfonic acid Openeye Name: 5-methyl-4-oxo-hex-5-ene-2-sulfonic acid CAS Name: 5-methyl-4-oxo-5-hexene-2-sulfonic acid IUPAC Name: 5-methyl-4-oxohex-5-ene-2-sulfonic acid Traditional Name: 4-keto-5-methyl-hex-5-ene-2-sulfonic acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O4S/c1-5(2)7(8)4-6(3)12(9,10)11/h6H,1,4H2,2-3H3,(H,9,10,11)