4-methyl-2-methylidene-5-sulfo-pentanoic acid

Systemtic Name: 4-methyl-2-methylidene-5-sulfo-pentanoic acid Openeye Name: 4-methyl-2-methylene-5-sulfo-pentanoic acid CAS Name: 4-methyl-2-methylene-5-sulfopentanoic acid IUPAC Name: 4-methyl-2-methylidene-5-sulfopentanoic acid Traditional Name: 2-(2-methyl-3-sulfo-propyl)acrylic acid Formula: C7H12O5S MolecularWeight: 208.23218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=C)C(=O)O)CS(=O)(=O)O

Isomeric SMILES

CC(CC(=C)C(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C7H12O5S/c1-5(4-13(10,11)12)3-6(2)7(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11,12)