(4-chlorophenyl)methyl-[[(1R,2S,3S,4R)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1,4-bis(oxidanyl)cyclohexyl]methyl]-methyl-sulfanium bromide

Systemtic Name: (4-chlorophenyl)methyl-[[(1R,2S,3S,4R)-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1,4-bis(oxidanyl)cyclohexyl]methyl]-methyl-sulfanium bromide Openeye Name: (4-chlorophenyl)methyl-[[(1R,2S,3S,4R)-1,4-dihydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methyl-sulfonium bromide CAS Name: (4-chlorophenyl)methyl-[[(1R,2S,3S,4R)-1,4-dihydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl]-methylsulfonium bromide IUPAC Name: (4-chlorophenyl)methyl-[[(1R,2S,3S,4R)-1,4-dihydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methylsulfanium bromide Traditional Name: (4-chlorobenzyl)-[[(1R,2S,3S,4R)-1,4-dihydroxy-3-methoxy-2-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl]-methyl-sulfonium bromide Formula: C24H36BrClO4S MolecularWeight: 535.96224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)CC3=CC=C(C=C3)Cl)O)O)OC)C.[Br-]

Isomeric SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C[S+](C)CC3=CC=C(C=C3)Cl)O)O)OC)C.[Br-]

InChI

InChI=1S/C24H36ClO4S.BrH/c1-16(2)6-11-20-23(3,29-20)22-21(28-4)19(26)12-13-24(22,27)15-30(5)14-17-7-9-18(25)10-8-17;/h6-10,19-22,26-27H,11-15H2,1-5H3;1H/q+1;/p-1/t19-,20-,21-,22-,23+,24+,30?;/m1./s1