3-bromanyl-3-(4-methoxy-2-oxidanyl-phenyl)-6-methyl-2-benzofuran-1-one

Systemtic Name: 3-bromanyl-3-(4-methoxy-2-oxidanyl-phenyl)-6-methyl-2-benzofuran-1-one Openeye Name: 3-bromo-3-(2-hydroxy-4-methoxy-phenyl)-6-methyl-isobenzofuran-1-one CAS Name: 3-bromo-3-(2-hydroxy-4-methoxyphenyl)-6-methyl-1-isobenzofuranone IUPAC Name: 3-bromo-3-(2-hydroxy-4-methoxyphenyl)-6-methyl-2-benzofuran-1-one Traditional Name: 3-bromo-3-(2-hydroxy-4-methoxy-phenyl)-6-methyl-phthalide Formula: C16H13BrO4 MolecularWeight: 349.17602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OC2=O)(C3=C(C=C(C=C3)OC)O)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(OC2=O)(C3=C(C=C(C=C3)OC)O)Br

InChI

InChI=1S/C16H13BrO4/c1-9-3-5-12-11(7-9)15(19)21-16(12,17)13-6-4-10(20-2)8-14(13)18/h3-8,18H,1-2H3