2-methylidene-3-sulfo-hexanoate

Systemtic Name: 2-methylidene-3-sulfo-hexanoate Openeye Name: 2-methylene-3-sulfo-hexanoate CAS Name: 2-methylene-3-sulfohexanoate IUPAC Name: 2-methylidene-3-sulfohexanoate Traditional Name: 2-(1-sulfobutyl)acrylate Formula: C7H11O5S- MolecularWeight: 207.22424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O5S/c1-3-4-6(13(10,11)12)5(2)7(8)9/h6H,2-4H2,1H3,(H,8,9)(H,10,11,12)/p-1