4,5,6,7-tetrakis(chloranyl)-3,3-bis[(E)-2-(4-methoxy-3-methyl-phenyl)-2-[2-[(4-methylcyclohexyl)methylamino]phenyl]ethenyl]-2-benzofuran-1-one

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis[(E)-2-(4-methoxy-3-methyl-phenyl)-2-[2-[(4-methylcyclohexyl)methylamino]phenyl]ethenyl]-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-(4-methoxy-3-methyl-phenyl)-2-[2-[(4-methylcyclohexyl)methylamino]phenyl]vinyl]isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-(4-methoxy-3-methylphenyl)-2-[2-[(4-methylcyclohexyl)methylamino]phenyl]ethenyl]-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-(4-methoxy-3-methylphenyl)-2-[2-[(4-methylcyclohexyl)methylamino]phenyl]ethenyl]-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-(4-methoxy-3-methyl-phenyl)-2-[2-[(4-methylcyclohexyl)methylamino]phenyl]vinyl]phthalide Formula: C56H60Cl4N2O4 MolecularWeight: 966.8986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)CNC2=CC=CC=C2C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=CC(=C(C=C5)OC)C)C6=CC=CC=C6NCC7CCC(CC7)C)C8=CC(=C(C=C8)OC)C

Isomeric SMILES

CC1CCC(CC1)CNC2=CC=CC=C2/C(=C/C3(OC(=O)C4=C3C(=C(C(=C4Cl)Cl)Cl)Cl)/C=C(/C5=CC=CC=C5NCC6CCC(CC6)C)\C7=CC(=C(C=C7)OC)C)/C8=CC(=C(C=C8)OC)C

InChI

InChI=1S/C56H60Cl4N2O4/c1-33-15-19-37(20-16-33)31-61-45-13-9-7-11-41(45)43(39-23-25-47(64-5)35(3)27-39)29-56(50-49(55(63)66-56)51(57)53(59)54(60)52(50)58)30-44(40-24-26-48(65-6)36(4)28-40)42-12-8-10-14-46(42)62-32-38-21-17-34(2)18-22-38/h7-14,23-30,33-34,37-38,61-62H,15-22,31-32H2,1-6H3/b43-29+,44-30+