4,6-bis(bromanyl)-2-methyl-5-(4-oxidanyl-3-propan-2-yl-phenoxy)-1-benzofuran-3-carboxylic acid

Systemtic Name: 4,6-bis(bromanyl)-2-methyl-5-(4-oxidanyl-3-propan-2-yl-phenoxy)-1-benzofuran-3-carboxylic acid Openeye Name: 4,6-dibromo-5-(4-hydroxy-3-isopropyl-phenoxy)-2-methyl-benzofuran-3-carboxylic acid CAS Name: 4,6-dibromo-5-(4-hydroxy-3-propan-2-ylphenoxy)-2-methyl-3-benzofurancarboxylic acid IUPAC Name: 4,6-dibromo-5-(4-hydroxy-3-propan-2-ylphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid Traditional Name: 4,6-dibromo-5-(4-hydroxy-3-isopropyl-phenoxy)-2-methyl-benzofuran-3-carboxylic acid Formula: C19H16Br2O5 MolecularWeight: 484.13534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C(C=C2O1)Br)OC3=CC(=C(C=C3)O)C(C)C)Br)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C(=C(C=C2O1)Br)OC3=CC(=C(C=C3)O)C(C)C)Br)C(=O)O

InChI

InChI=1S/C19H16Br2O5/c1-8(2)11-6-10(4-5-13(11)22)26-18-12(20)7-14-16(17(18)21)15(19(23)24)9(3)25-14/h4-8,22H,1-3H3,(H,23,24)