1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-butane-1-sulfonic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-butane-1-sulfonic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-oxo-butane-1-sulfonic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-oxo-1-butanesulfonic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-oxobutane-1-sulfonic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-keto-butane-1-sulfonic acid Formula: C11H12O6S MolecularWeight: 272.27438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)O

InChI

InChI=1S/C11H12O6S/c1-7(12)4-11(18(13,14)15)8-2-3-9-10(5-8)17-6-16-9/h2-3,5,11H,4,6H2,1H3,(H,13,14,15)