1-(3,4-dimethoxyphenyl)-3-(hydroxymethyloxy)-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(hydroxymethyloxy)-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(hydroxymethoxy)-3-oxo-propane-1-sulfonic acid CAS Name: 1-(3,4-dimethoxyphenyl)-3-(hydroxymethoxy)-3-oxo-1-propanesulfonic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(hydroxymethoxy)-3-oxopropane-1-sulfonic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-3-keto-3-methyloloxy-propane-1-sulfonic acid Formula: C12H16O8S MolecularWeight: 320.31564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OCO)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OCO)S(=O)(=O)O)OC

InChI

InChI=1S/C12H16O8S/c1-18-9-4-3-8(5-10(9)19-2)11(21(15,16)17)6-12(14)20-7-13/h3-5,11,13H,6-7H2,1-2H3,(H,15,16,17)