3-[(3,4-dimethoxyphenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]propanoate Openeye Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylsulfonyl]propanoate Traditional Name: 3-veratrylsulfonylpropionate Formula: C12H15O6S- MolecularWeight: 287.3089

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C12H16O6S/c1-17-10-4-3-9(7-11(10)18-2)8-19(15,16)6-5-12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H,13,14)/p-1