3-[2-(5-tert-butyl-3-methyl-4-oxidanyl-1-benzofuran-7-yl)-4-chloranyl-phenyl]carbonyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[2-(5-tert-butyl-3-methyl-4-oxidanyl-1-benzofuran-7-yl)-4-chloranyl-phenyl]carbonyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-[2-(5-tert-butyl-4-hydroxy-3-methyl-benzofuran-7-yl)-4-chloro-benzoyl]benzofuran-2-carboxylic acid CAS Name: 3-[[2-(5-tert-butyl-4-hydroxy-3-methyl-7-benzofuranyl)-4-chlorophenyl]-oxomethyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[2-(5-tert-butyl-4-hydroxy-3-methyl-1-benzofuran-7-yl)-4-chlorobenzoyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[2-(5-tert-butyl-4-hydroxy-3-methyl-benzofuran-7-yl)-4-chloro-benzoyl]coumarilic acid Formula: C29H23ClO6 MolecularWeight: 502.94232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(=C(C=C2C3=C(C=CC(=C3)Cl)C(=O)C4=C(OC5=CC=CC=C54)C(=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=COC2=C1C(=C(C=C2C3=C(C=CC(=C3)Cl)C(=O)C4=C(OC5=CC=CC=C54)C(=O)O)C(C)(C)C)O

InChI

InChI=1S/C29H23ClO6/c1-14-13-35-26-19(12-20(29(2,3)4)25(32)22(14)26)18-11-15(30)9-10-16(18)24(31)23-17-7-5-6-8-21(17)36-27(23)28(33)34/h5-13,32H,1-4H3,(H,33,34)