3,3,4,5-tetrakis[2-(dimethylamino)phenyl]-2-benzofuran-1-one

Systemtic Name: 3,3,4,5-tetrakis[2-(dimethylamino)phenyl]-2-benzofuran-1-one Openeye Name: 3,3,4,5-tetrakis[2-(dimethylamino)phenyl]isobenzofuran-1-one CAS Name: 3,3,4,5-tetrakis[2-(dimethylamino)phenyl]-1-isobenzofuranone IUPAC Name: 3,3,4,5-tetrakis[2-(dimethylamino)phenyl]-2-benzofuran-1-one Traditional Name: 3,3,4,5-tetrakis[2-(dimethylamino)phenyl]phthalide Formula: C40H42N4O2 MolecularWeight: 610.78708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1C2=C(C3=C(C=C2)C(=O)OC3(C4=CC=CC=C4N(C)C)C5=CC=CC=C5N(C)C)C6=CC=CC=C6N(C)C

Isomeric SMILES

CN(C)C1=CC=CC=C1C2=C(C3=C(C=C2)C(=O)OC3(C4=CC=CC=C4N(C)C)C5=CC=CC=C5N(C)C)C6=CC=CC=C6N(C)C

InChI

InChI=1S/C40H42N4O2/c1-41(2)33-21-13-9-17-27(33)28-25-26-30-38(37(28)29-18-10-14-22-34(29)42(3)4)40(46-39(30)45,31-19-11-15-23-35(31)43(5)6)32-20-12-16-24-36(32)44(7)8/h9-26H,1-8H3