2-methylidene-3-sulfo-hexanoic acid

Systemtic Name: 2-methylidene-3-sulfo-hexanoic acid Openeye Name: 2-methylene-3-sulfo-hexanoic acid CAS Name: 2-methylene-3-sulfohexanoic acid IUPAC Name: 2-methylidene-3-sulfohexanoic acid Traditional Name: 2-(1-sulfobutyl)acrylic acid Formula: C7H12O5S MolecularWeight: 208.23218

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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)