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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; 2-[(2R,6R)-1-methyl-6-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-2-yl]-1-phenyl-ethanone

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; 2-[(2R,6R)-1-methyl-6-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-2-yl]-1-phenyl-ethanone

Systemtic Name:4-[3-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)-3-methyl-phenol; 2-[(2R,6R)-1-methyl-6-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-2-yl]-1-phenyl-ethanone
Openeye Name:2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-phenol; 2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanone
CAS Name:2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol; 2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenylethanone
IUPAC Name:2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol; 2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
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; 2-[(2R,6R)-6-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-methyl-2-piperidyl]-1-phenyl-ethanone
Formula: C43H41Br4NO7S
MolecularWeight: 1035.46914
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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.CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)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.CN1[C@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O


InChI

InChI=1S/C22H27NO2.C21H14Br4O5S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-9-12(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/h2-7,9-12,19-21,24H,8,13-16H2,1H3;3-8,26-27H,1-2H3/t19-,20-,21+;/m1./s1


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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; 2-[(2R,6R)-1-methyl-6-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidin-2-yl]-1-phenyl-ethanone

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