4,7-bis(chloranyl)-5-(2-methylphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 4,7-bis(chloranyl)-5-(2-methylphenyl)carbonyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 4,7-dichloro-5-(2-methylbenzoyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 4,7-dichloro-5-[(2-methylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 4,7-dichloro-5-(2-methylbenzoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 4,7-dichloro-5-o-toluoyl-coumaran-2-carboxylic acid Formula: C17H12Cl2O4 MolecularWeight: 351.18078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC(=C3C(=C2Cl)CC(O3)C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC(=C3C(=C2Cl)CC(O3)C(=O)O)Cl

InChI

InChI=1S/C17H12Cl2O4/c1-8-4-2-3-5-9(8)15(20)10-6-12(18)16-11(14(10)19)7-13(23-16)17(21)22/h2-6,13H,7H2,1H3,(H,21,22)