6,7-bis(chloranyl)-5-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-(4-methoxyphenyl)sulfonyl-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-(4-methoxyphenyl)sulfonyl-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-(4-methoxyphenyl)sulfonyl-coumaran-2-carboxylic acid Formula: C16H12Cl2O6S MolecularWeight: 403.23388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C3C(=C2)CC(O3)C(=O)O)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C3C(=C2)CC(O3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H12Cl2O6S/c1-23-9-2-4-10(5-3-9)25(21,22)12-7-8-6-11(16(19)20)24-15(8)14(18)13(12)17/h2-5,7,11H,6H2,1H3,(H,19,20)