4,5,6,7-tetrakis(chloranyl)-3,3-bis[(E)-2-[4-(2-methylpiperidin-1-yl)phenyl]-2-phenyl-ethenyl]-2-benzofuran-1-one

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3,3-bis[(E)-2-[4-(2-methylpiperidin-1-yl)phenyl]-2-phenyl-ethenyl]-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-[4-(2-methyl-1-piperidyl)phenyl]-2-phenyl-vinyl]isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-[4-(2-methyl-1-piperidinyl)phenyl]-2-phenylethenyl]-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-[4-(2-methylpiperidin-1-yl)phenyl]-2-phenylethenyl]-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3,3-bis[(E)-2-[4-(2-methylpiperidino)phenyl]-2-phenyl-vinyl]phthalide Formula: C48H44Cl4N2O2 MolecularWeight: 822.68716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)C(=CC3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C=C(C5=CC=CC=C5)C6=CC=C(C=C6)N7CCCCC7C)C8=CC=CC=C8

Isomeric SMILES

CC1N(CCCC1)C2=CC=C(C=C2)/C(=C/C3(OC(=O)C4=C3C(=C(C(=C4Cl)Cl)Cl)Cl)/C=C(/C5=CC=C(C=C5)N6C(CCCC6)C)\C7=CC=CC=C7)/C8=CC=CC=C8

InChI

InChI=1S/C48H44Cl4N2O2/c1-31-13-9-11-27-53(31)37-23-19-35(20-24-37)39(33-15-5-3-6-16-33)29-48(42-41(47(55)56-48)43(49)45(51)46(52)44(42)50)30-40(34-17-7-4-8-18-34)36-21-25-38(26-22-36)54-28-12-10-14-32(54)2/h3-8,15-26,29-32H,9-14,27-28H2,1-2H3/b39-29+,40-30+