2-methylidene-4-sulfo-hexanoic acid

Systemtic Name: 2-methylidene-4-sulfo-hexanoic acid Openeye Name: 2-methylene-4-sulfo-hexanoic acid CAS Name: 2-methylene-4-sulfohexanoic acid IUPAC Name: 2-methylidene-4-sulfohexanoic acid Traditional Name: 2-(2-sulfobutyl)acrylic acid Formula: C7H12O5S MolecularWeight: 208.23218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=C)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(CC(=C)C(=O)O)S(=O)(=O)O

InChI

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