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

Systemtic Name: 6,7-bis(chloranyl)-5-(phenylmethyl)sulfonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-benzylsulfonyl-6,7-dichloro-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 6,7-dichloro-5-(phenylmethyl)sulfonyl-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-benzylsulfonyl-6,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-benzylsulfonyl-6,7-dichloro-coumaran-2-carboxylic acid Formula: C16H12Cl2O5S MolecularWeight: 387.23448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C(=C(C=C21)S(=O)(=O)CC3=CC=CC=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1C(OC2=C(C(=C(C=C21)S(=O)(=O)CC3=CC=CC=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H12Cl2O5S/c17-13-12(24(21,22)8-9-4-2-1-3-5-9)7-10-6-11(16(19)20)23-15(10)14(13)18/h1-5,7,11H,6,8H2,(H,19,20)