3,3-bis[3-methyl-2,4,6-tris(oxidanyl)phenyl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[3-methyl-2,4,6-tris(oxidanyl)phenyl]-2-benzofuran-1-one Openeye Name: 3,3-bis(2,4,6-trihydroxy-3-methyl-phenyl)isobenzofuran-1-one CAS Name: 3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(2,4,6-trihydroxy-3-methylphenyl)-2-benzofuran-1-one Traditional Name: 3,3-bis(2,4,6-trihydroxy-3-methyl-phenyl)phthalide Formula: C22H18O8 MolecularWeight: 410.37352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C=C4O)O)C)O)O)O

Isomeric SMILES

CC1=C(C=C(C(=C1O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C=C4O)O)C)O)O)O

InChI

InChI=1S/C22H18O8/c1-9-13(23)7-15(25)17(19(9)27)22(12-6-4-3-5-11(12)21(29)30-22)18-16(26)8-14(24)10(2)20(18)28/h3-8,23-28H,1-2H3