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; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

Systemtic Name: 4-[3-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)-3-methyl-phenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one Openeye Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-phenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one CAS Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol; (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone IUPAC Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one 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; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one Formula: C32H30Br4N2O7S MolecularWeight: 906.2708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(COC1=O)CC2=CN=CN2C.CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br

Isomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br

InChI

InChI=1S/C21H14Br4O5S.C11H16N2O2/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;1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h3-8,26-27H,1-2H3;5,7-8,10H,3-4,6H2,1-2H3/t;8-,10-/m.0/s1