(4-bromanyl-2,6-dimethyl-phenyl) 5-bromanyl-1-benzofuran-2-carboxylate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 5-bromanyl-1-benzofuran-2-carboxylate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 5-bromobenzofuran-2-carboxylate CAS Name: 5-bromo-2-benzofurancarboxylic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 5-bromo-1-benzofuran-2-carboxylate Traditional Name: 5-bromocoumarilic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C17H12Br2O3 MolecularWeight: 424.08338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C)Br

InChI

InChI=1S/C17H12Br2O3/c1-9-5-13(19)6-10(2)16(9)22-17(20)15-8-11-7-12(18)3-4-14(11)21-15/h3-8H,1-2H3