sodium 6,7-bis(chloranyl)-5-[methyl(propyl)sulfamoyl]-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: sodium 6,7-bis(chloranyl)-5-[methyl(propyl)sulfamoyl]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: sodium 6,7-dichloro-5-[methyl(propyl)sulfamoyl]-2,3-dihydrobenzofuran-2-carboxylate CAS Name: sodium 6,7-dichloro-5-[methyl(propyl)sulfamoyl]-2,3-dihydrobenzofuran-2-carboxylate IUPAC Name: sodium 6,7-dichloro-5-[methyl(propyl)sulfamoyl]-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: sodium 6,7-dichloro-5-[methyl(propyl)sulfamoyl]coumaran-2-carboxylate Formula: C13H14Cl2NNaO5S MolecularWeight: 390.21473

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)S(=O)(=O)C1=C(C(=C2C(=C1)CC(O2)C(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

CCCN(C)S(=O)(=O)C1=C(C(=C2C(=C1)CC(O2)C(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C13H15Cl2NO5S.Na/c1-3-4-16(2)22(19,20)9-6-7-5-8(13(17)18)21-12(7)11(15)10(9)14;/h6,8H,3-5H2,1-2H3,(H,17,18);/q;+1/p-1