ethenesulfonic acid; (E)-2-methyl-4-sulfo-pent-2-enoate

Systemtic Name: ethenesulfonic acid; (E)-2-methyl-4-sulfo-pent-2-enoate Openeye Name: ethenesulfonic acid; (E)-2-methyl-4-sulfo-pent-2-enoate CAS Name: ethenesulfonic acid; (E)-2-methyl-4-sulfo-2-pentenoate IUPAC Name: ethenesulfonic acid; (E)-2-methyl-4-sulfopent-2-enoate Traditional Name: ethenesulfonic acid; (E)-2-methyl-4-sulfo-pent-2-enoate Formula: C8H13O8S2- MolecularWeight: 301.31402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C(=O)[O-])S(=O)(=O)O.C=CS(=O)(=O)O

Isomeric SMILES

CC(/C=C(\C)/C(=O)[O-])S(=O)(=O)O.C=CS(=O)(=O)O

InChI

InChI=1S/C6H10O5S.C2H4O3S/c1-4(6(7)8)3-5(2)12(9,10)11;1-2-6(3,4)5/h3,5H,1-2H3,(H,7,8)(H,9,10,11);2H,1H2,(H,3,4,5)/p-1/b4-3+;