(E)-3-ethoxy-2-methyl-6-sulfo-hex-2-enoate

Systemtic Name: (E)-3-ethoxy-2-methyl-6-sulfo-hex-2-enoate Openeye Name: (E)-3-ethoxy-2-methyl-6-sulfo-hex-2-enoate CAS Name: (E)-3-ethoxy-2-methyl-6-sulfo-2-hexenoate IUPAC Name: (E)-3-ethoxy-2-methyl-6-sulfohex-2-enoate Traditional Name: (E)-3-ethoxy-2-methyl-6-sulfo-hex-2-enoate Formula: C9H15O6S- MolecularWeight: 251.2768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C)C(=O)[O-])CCCS(=O)(=O)O

Isomeric SMILES

CCO/C(=C(\C)/C(=O)[O-])/CCCS(=O)(=O)O

InChI

InChI=1S/C9H16O6S/c1-3-15-8(7(2)9(10)11)5-4-6-16(12,13)14/h3-6H2,1-2H3,(H,10,11)(H,12,13,14)/p-1/b8-7+