dimethyl 5-sulfooxybenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-sulfooxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-sulfooxybenzene-1,3-dicarboxylate CAS Name: 5-sulfooxybenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-sulfooxybenzene-1,3-dicarboxylate Traditional Name: 5-sulfoxybenzene-1,3-dicarboxylic acid dimethyl ester Formula: C10H10O8S MolecularWeight: 290.2466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C10H10O8S/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18-19(13,14)15/h3-5H,1-2H3,(H,13,14,15)