6-methyl-5-oxidanylidene-hept-6-ene-3-sulfonic acid

Systemtic Name: 6-methyl-5-oxidanylidene-hept-6-ene-3-sulfonic acid Openeye Name: 6-methyl-5-oxo-hept-6-ene-3-sulfonic acid CAS Name: 6-methyl-5-oxo-6-heptene-3-sulfonic acid IUPAC Name: 6-methyl-5-oxohept-6-ene-3-sulfonic acid Traditional Name: 5-keto-6-methyl-hept-6-ene-3-sulfonic acid Formula: C8H14O4S MolecularWeight: 206.25936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O4S/c1-4-7(13(10,11)12)5-8(9)6(2)3/h7H,2,4-5H2,1,3H3,(H,10,11,12)