(3-methyl-2-oxidanylidene-but-3-enyl) propane-1-sulfonate

Systemtic Name: (3-methyl-2-oxidanylidene-but-3-enyl) propane-1-sulfonate Openeye Name: (3-methyl-2-oxo-but-3-enyl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (3-methyl-2-oxobut-3-enyl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (2-keto-3-methyl-but-3-enyl) ester Formula: C8H14O4S MolecularWeight: 206.25936

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OCC(=O)C(=C)C

Isomeric SMILES

CCCS(=O)(=O)OCC(=O)C(=C)C

InChI

InChI=1S/C8H14O4S/c1-4-5-13(10,11)12-6-8(9)7(2)3/h2,4-6H2,1,3H3