2-[(2,3,4-trimethoxyphenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(2,3,4-trimethoxyphenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(2,3,4-trimethoxyphenyl)methylsulfonyl]acetic acid CAS Name: 2-[(2,3,4-trimethoxyphenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(2,3,4-trimethoxyphenyl)methylsulfonyl]acetic acid Traditional Name: 2-(2,3,4-trimethoxybenzyl)sulfonylacetic acid Formula: C12H16O7S MolecularWeight: 304.31624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CS(=O)(=O)CC(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CS(=O)(=O)CC(=O)O)OC)OC

InChI

InChI=1S/C12H16O7S/c1-17-9-5-4-8(11(18-2)12(9)19-3)6-20(15,16)7-10(13)14/h4-5H,6-7H2,1-3H3,(H,13,14)