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

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)vinyl]isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-methoxyphenyl)-2-(4-pyrrolidinophenyl)vinyl]phthalide Formula: C46H40Cl4N2O4 MolecularWeight: 826.6328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=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)C7=CC=C(C=C7)N8CCCC8

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\C2(OC(=O)C3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)/C=C(\C4=CC=C(C=C4)OC)/C5=CC=C(C=C5)N6CCCC6)/C7=CC=C(C=C7)N8CCCC8

InChI

InChI=1S/C46H40Cl4N2O4/c1-54-35-19-11-31(12-20-35)37(29-7-15-33(16-8-29)51-23-3-4-24-51)27-46(40-39(45(53)56-46)41(47)43(49)44(50)42(40)48)28-38(32-13-21-36(55-2)22-14-32)30-9-17-34(18-10-30)52-25-5-6-26-52/h7-22,27-28H,3-6,23-26H2,1-2H3/b37-27-,38-28-