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

Systemtic Name: (E)-2-methyl-4-sulfo-hept-2-enoate Openeye Name: (E)-2-methyl-4-sulfo-hept-2-enoate CAS Name: (E)-2-methyl-4-sulfo-2-heptenoate IUPAC Name: (E)-2-methyl-4-sulfohept-2-enoate Traditional Name: (E)-2-methyl-4-sulfo-hept-2-enoate Formula: C8H13O5S- MolecularWeight: 221.25082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=C(C)C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C8H14O5S/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)/p-1/b6-5+