potassium (E)-2-methyl-4-sulfo-hex-2-enoate

Systemtic Name: potassium (E)-2-methyl-4-sulfo-hex-2-enoate Openeye Name: potassium (E)-2-methyl-4-sulfo-hex-2-enoate CAS Name: potassium (E)-2-methyl-4-sulfo-2-hexenoate IUPAC Name: potassium (E)-2-methyl-4-sulfohex-2-enoate Traditional Name: potassium (E)-2-methyl-4-sulfo-hex-2-enoate Formula: C7H11KO5S MolecularWeight: 246.32254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C)C(=O)[O-])S(=O)(=O)O.[K+]

Isomeric SMILES

CCC(/C=C(\C)/C(=O)[O-])S(=O)(=O)O.[K+]

InChI

InChI=1S/C7H12O5S.K/c1-3-6(13(10,11)12)4-5(2)7(8)9;/h4,6H,3H2,1-2H3,(H,8,9)(H,10,11,12);/q;+1/p-1/b5-4+;