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

Systemtic Name: 5-methyl-4-oxidanylidene-hex-5-ene-3-sulfonic acid Openeye Name: 5-methyl-4-oxo-hex-5-ene-3-sulfonic acid CAS Name: 5-methyl-4-oxo-5-hexene-3-sulfonic acid IUPAC Name: 5-methyl-4-oxohex-5-ene-3-sulfonic acid Traditional Name: 4-keto-5-methyl-hex-5-ene-3-sulfonic acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=C)C)S(=O)(=O)O

Isomeric SMILES

CCC(C(=O)C(=C)C)S(=O)(=O)O

InChI

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