barium(2+); hydroxymethyl 3-(3,4-dimethoxyphenoxy)sulfonylpropanoate

Systemtic Name: barium(2+); hydroxymethyl 3-(3,4-dimethoxyphenoxy)sulfonylpropanoate Openeye Name: barium(2+); hydroxymethyl 3-(3,4-dimethoxyphenoxy)sulfonylpropanoate CAS Name: barium(2+); 3-(3,4-dimethoxyphenoxy)sulfonylpropanoic acid hydroxymethyl ester IUPAC Name: barium(2+); hydroxymethyl 3-(3,4-dimethoxyphenoxy)sulfonylpropanoate Traditional Name: barium(2+); 3-(3,4-dimethoxyphenoxy)sulfonylpropionic acid methylol ester Formula: C12H16BaO8S+2 MolecularWeight: 457.64264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OS(=O)(=O)CCC(=O)OCO)OC.[Ba+2]

Isomeric SMILES

COC1=C(C=C(C=C1)OS(=O)(=O)CCC(=O)OCO)OC.[Ba+2]

InChI

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