5-bromanyl-3-methyl-4-oxidanyl-6-phenyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-methyl-4-oxidanyl-6-phenyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-4-hydroxy-3-methyl-6-phenyl-benzofuran-2-carboxylic acid CAS Name: 5-bromo-4-hydroxy-3-methyl-6-phenyl-2-benzofurancarboxylic acid IUPAC Name: 5-bromo-4-hydroxy-3-methyl-6-phenyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-4-hydroxy-3-methyl-6-phenyl-coumarilic acid Formula: C16H11BrO4 MolecularWeight: 347.16014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=C(C(=C2)C3=CC=CC=C3)Br)O)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=C(C(=C2)C3=CC=CC=C3)Br)O)C(=O)O

InChI

InChI=1S/C16H11BrO4/c1-8-12-11(21-15(8)16(19)20)7-10(13(17)14(12)18)9-5-3-2-4-6-9/h2-7,18H,1H3,(H,19,20)