3,3-bis(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-benzofuran-1-one Openeye Name: 3,3-bis(3-bromo-4-hydroxy-5-methoxy-phenyl)isobenzofuran-1-one CAS Name: 3,3-bis(3-bromo-4-hydroxy-5-methoxyphenyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(3-bromo-4-hydroxy-5-methoxyphenyl)-2-benzofuran-1-one Traditional Name: 3,3-bis(3-bromo-4-hydroxy-5-methoxy-phenyl)phthalide Formula: C22H16Br2O6 MolecularWeight: 536.16684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)Br)O)OC)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)Br)O)OC)Br)O

InChI

InChI=1S/C22H16Br2O6/c1-28-17-9-11(7-15(23)19(17)25)22(12-8-16(24)20(26)18(10-12)29-2)14-6-4-3-5-13(14)21(27)30-22/h3-10,25-26H,1-2H3