3-(3,4-dimethoxyphenyl)-1,2-thiazole-4,5-dicarboxylic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1,2-thiazole-4,5-dicarboxylic acid Openeye Name: 3-(3,4-dimethoxyphenyl)isothiazole-4,5-dicarboxylic acid CAS Name: 3-(3,4-dimethoxyphenyl)isothiazole-4,5-dicarboxylic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-1,2-thiazole-4,5-dicarboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)isothiazole-4,5-dicarboxylic acid Formula: C13H11NO6S MolecularWeight: 309.29454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NSC(=C2C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NSC(=C2C(=O)O)C(=O)O)OC

InChI

InChI=1S/C13H11NO6S/c1-19-7-4-3-6(5-8(7)20-2)10-9(12(15)16)11(13(17)18)21-14-10/h3-5H,1-2H3,(H,15,16)(H,17,18)