methyl 6-bromanyl-2-methyl-5-(phenylcarbonyloxy)-1-benzofuran-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-methyl-5-(phenylcarbonyloxy)-1-benzofuran-3-carboxylate Openeye Name: methyl 5-benzoyloxy-6-bromo-2-methyl-benzofuran-3-carboxylate CAS Name: 5-benzoyloxy-6-bromo-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-benzoyloxy-6-bromo-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-benzoyloxy-6-bromo-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C18H13BrO5 MolecularWeight: 389.19682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrO5/c1-10-16(18(21)22-2)12-8-15(13(19)9-14(12)23-10)24-17(20)11-6-4-3-5-7-11/h3-9H,1-2H3