4-[3-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)-3-methyl-phenol; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Systemtic Name: 4-[3-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)-3-methyl-phenol; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Openeye Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-phenol; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol CAS Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-4-quinolinyl)methanol IUPAC Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol; (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol Traditional Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-1,1-diketo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-phenol; (6-methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol Formula: C41H38Br4N2O7S MolecularWeight: 1022.43062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

Isomeric SMILES

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O

InChI

InChI=1S/C21H14Br4O5S.C20H24N2O2/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-8,26-27H,1-2H3;3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3