3-(4-bromophenyl)-5-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)-5-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-(4-bromophenyl)-5-methyl-benzofuran-2-carboxylic acid CAS Name: 3-(4-bromophenyl)-5-methyl-2-benzofurancarboxylic acid IUPAC Name: 3-(4-bromophenyl)-5-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-(4-bromophenyl)-5-methyl-coumarilic acid Formula: C16H11BrO3 MolecularWeight: 331.16074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H11BrO3/c1-9-2-7-13-12(8-9)14(15(20-13)16(18)19)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,18,19)