3,3-bis[2,2-bis(2-pyrrolidin-1-ylphenyl)ethenyl]-4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1-one

Systemtic Name: 3,3-bis[2,2-bis(2-pyrrolidin-1-ylphenyl)ethenyl]-4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1-one Openeye Name: 3,3-bis[2,2-bis(2-pyrrolidin-1-ylphenyl)vinyl]-4,5,6,7-tetrachloro-isobenzofuran-1-one CAS Name: 3,3-bis[2,2-bis[2-(1-pyrrolidinyl)phenyl]ethenyl]-4,5,6,7-tetrachloro-1-isobenzofuranone IUPAC Name: 3,3-bis[2,2-bis(2-pyrrolidin-1-ylphenyl)ethenyl]-4,5,6,7-tetrachloro-2-benzofuran-1-one Traditional Name: 3,3-bis[2,2-bis(2-pyrrolidinophenyl)vinyl]-4,5,6,7-tetrachloro-phthalide Formula: C52H50Cl4N4O2 MolecularWeight: 904.791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=CC=CC=C5N6CCCC6)C7=CC=CC=C7N8CCCC8)C9=CC=CC=C9N1CCCC1

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=CC=CC=C5N6CCCC6)C7=CC=CC=C7N8CCCC8)C9=CC=CC=C9N1CCCC1

InChI

InChI=1S/C52H50Cl4N4O2/c53-47-45-46(48(54)50(56)49(47)55)52(62-51(45)61,33-39(35-17-1-5-21-41(35)57-25-9-10-26-57)36-18-2-6-22-42(36)58-27-11-12-28-58)34-40(37-19-3-7-23-43(37)59-29-13-14-30-59)38-20-4-8-24-44(38)60-31-15-16-32-60/h1-8,17-24,33-34H,9-16,25-32H2