5-tert-butyl-7-(4-chlorophenyl)carbonyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-tert-butyl-7-(4-chlorophenyl)carbonyl-3-methyl-4-oxidanyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-tert-butyl-7-(4-chlorobenzoyl)-4-hydroxy-3-methyl-benzofuran-2-carboxylic acid CAS Name: 5-tert-butyl-7-[(4-chlorophenyl)-oxomethyl]-4-hydroxy-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-tert-butyl-7-(4-chlorobenzoyl)-4-hydroxy-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-tert-butyl-7-(4-chlorobenzoyl)-4-hydroxy-3-methyl-coumarilic acid Formula: C21H19ClO5 MolecularWeight: 386.82556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C=C2C(=O)C3=CC=C(C=C3)Cl)C(C)(C)C)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C=C2C(=O)C3=CC=C(C=C3)Cl)C(C)(C)C)O)C(=O)O

InChI

InChI=1S/C21H19ClO5/c1-10-15-17(24)14(21(2,3)4)9-13(19(15)27-18(10)20(25)26)16(23)11-5-7-12(22)8-6-11/h5-9,24H,1-4H3,(H,25,26)