3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)-6-methyl-2-benzofuran-1-one

Systemtic Name: 3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)-6-methyl-2-benzofuran-1-one Openeye Name: 3-(3-bromo-4-hydroxy-5-methyl-phenyl)-3-(4-hydroxyphenyl)-6-methyl-isobenzofuran-1-one CAS Name: 3-(3-bromo-4-hydroxy-5-methylphenyl)-3-(4-hydroxyphenyl)-6-methyl-1-isobenzofuranone IUPAC Name: 3-(3-bromo-4-hydroxy-5-methylphenyl)-3-(4-hydroxyphenyl)-6-methyl-2-benzofuran-1-one Traditional Name: 3-(3-bromo-4-hydroxy-5-methyl-phenyl)-3-(4-hydroxyphenyl)-6-methyl-phthalide Formula: C22H17BrO4 MolecularWeight: 425.27198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OC2=O)(C3=CC=C(C=C3)O)C4=CC(=C(C(=C4)Br)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(OC2=O)(C3=CC=C(C=C3)O)C4=CC(=C(C(=C4)Br)O)C

InChI

InChI=1S/C22H17BrO4/c1-12-3-8-18-17(9-12)21(26)27-22(18,14-4-6-16(24)7-5-14)15-10-13(2)20(25)19(23)11-15/h3-11,24-25H,1-2H3