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

Systemtic Name: potassium (E)-2-methyl-4-sulfo-hept-2-enoate Openeye Name: potassium (E)-2-methyl-4-sulfo-hept-2-enoate CAS Name: potassium (E)-2-methyl-4-sulfo-2-heptenoate IUPAC Name: potassium (E)-2-methyl-4-sulfohept-2-enoate Traditional Name: potassium (E)-2-methyl-4-sulfo-hept-2-enoate Formula: C8H13KO5S MolecularWeight: 260.34912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14O5S.K/c1-3-4-7(14(11,12)13)5-6(2)8(9)10;/h5,7H,3-4H2,1-2H3,(H,9,10)(H,11,12,13);/q;+1/p-1/b6-5+;