3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)vinyl]isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)ethenyl]-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(4-dimethylaminophenyl)vinyl]phthalide Formula: C44H46N4O2 MolecularWeight: 662.86164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=CC2(C3=CC=CC=C3C(=O)O2)C=C(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=CC2(C3=CC=CC=C3C(=O)O2)C=C(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C44H46N4O2/c1-45(2)35-21-13-31(14-22-35)40(32-15-23-36(24-16-32)46(3)4)29-44(42-12-10-9-11-39(42)43(49)50-44)30-41(33-17-25-37(26-18-33)47(5)6)34-19-27-38(28-20-34)48(7)8/h9-30H,1-8H3