2-carboxy-6,7-bis(chloranyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-1-benzofuran-2-sulfinate

Systemtic Name: 2-carboxy-6,7-bis(chloranyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-1-benzofuran-2-sulfinate Openeye Name: 2-carboxy-6,7-dichloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzofuran-2-sulfinate CAS Name: 2-carboxy-6,7-dichloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzofuran-2-sulfinate IUPAC Name: 2-carboxy-6,7-dichloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-1-benzofuran-2-sulfinate Traditional Name: 2-carboxy-6,7-dichloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)coumaran-2-sulfinate Formula: C12H7Cl2N2O5S2- MolecularWeight: 394.23038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)C2=CC3=C(C(=C2Cl)Cl)OC(C3)(C(=O)O)S(=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)C2=CC3=C(C(=C2Cl)Cl)OC(C3)(C(=O)O)S(=O)[O-]

InChI

InChI=1S/C12H8Cl2N2O5S2/c1-4-15-16-10(22-4)6-2-5-3-12(11(17)18,23(19)20)21-9(5)8(14)7(6)13/h2H,3H2,1H3,(H,17,18)(H,19,20)/p-1