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

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis[(Z)-2-(3-methyl-4-propan-2-yloxy-phenyl)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-isopropoxy-3-methyl-phenyl)-2-(4-pyrrolidin-1-ylphenyl)vinyl]isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(3-methyl-4-propan-2-yloxyphenyl)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(3-methyl-4-propan-2-yloxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-isopropoxy-3-methyl-phenyl)-2-(4-pyrrolidinophenyl)vinyl]phthalide Formula: C52H52Cl4N2O4 MolecularWeight: 910.79228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=CC2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C=C(C4=CC=C(C=C4)N5CCCC5)C6=CC(=C(C=C6)OC(C)C)C)C7=CC=C(C=C7)N8CCCC8)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)/C(=C\C2(OC(=O)C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)/C=C(\C4=CC(=C(C=C4)OC(C)C)C)/C5=CC=C(C=C5)N6CCCC6)/C7=CC=C(C=C7)N8CCCC8)OC(C)C

InChI

InChI=1S/C52H52Cl4N2O4/c1-31(2)60-43-21-15-37(27-33(43)5)41(35-11-17-39(18-12-35)57-23-7-8-24-57)29-52(46-45(51(59)62-52)47(53)49(55)50(56)48(46)54)30-42(38-16-22-44(34(6)28-38)61-32(3)4)36-13-19-40(20-14-36)58-25-9-10-26-58/h11-22,27-32H,7-10,23-26H2,1-6H3/b41-29-,42-30-