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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O4S/c1-4-6(8)7(3,5-2)12(9,10)11/h4H,1,5H2,2-3H3,(H,9,10,11)