1-(3,4-dimethoxyphenyl)-3-oxidanylidene-butane-1-sulfonic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-oxidanylidene-butane-1-sulfonic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-3-oxo-butane-1-sulfonic acid CAS Name: 1-(3,4-dimethoxyphenyl)-3-oxo-1-butanesulfonic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-oxobutane-1-sulfonic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-3-keto-butane-1-sulfonic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC(=C(C=C1)OC)OC)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(C1=CC(=C(C=C1)OC)OC)S(=O)(=O)O

InChI

InChI=1S/C12H16O6S/c1-8(13)6-12(19(14,15)16)9-4-5-10(17-2)11(7-9)18-3/h4-5,7,12H,6H2,1-3H3,(H,14,15,16)