6,7-bis(chloranyl)-5-[(4-methylphenyl)methylsulfonyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-[(4-methylphenyl)methylsulfonyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 6,7-dichloro-5-(p-tolylmethylsulfonyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-[(4-methylphenyl)methylsulfonyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 6,7-dichloro-5-[(4-methylphenyl)methylsulfonyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 6,7-dichloro-5-(4-methylbenzyl)sulfonyl-coumaran-2-carboxylic acid Formula: C17H14Cl2O5S MolecularWeight: 401.26106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=C3C(=C2)CC(O3)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C(=C3C(=C2)CC(O3)C(=O)O)Cl)Cl

InChI

InChI=1S/C17H14Cl2O5S/c1-9-2-4-10(5-3-9)8-25(22,23)13-7-11-6-12(17(20)21)24-16(11)15(19)14(13)18/h2-5,7,12H,6,8H2,1H3,(H,20,21)