[4-acetyloxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-dimethyl-sulfanium iodide

Systemtic Name: [4-acetyloxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-cyclohexyl]methyl-dimethyl-sulfanium iodide Openeye Name: [4-acetoxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium iodide CAS Name: [4-acetyloxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]cyclohexyl]methyl-dimethylsulfonium iodide IUPAC Name: [4-acetyloxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethylsulfanium iodide Traditional Name: [4-acetoxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium iodide Formula: C20H35IO5S MolecularWeight: 514.45837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)OC(=O)C)OC)C.[I-]

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)OC(=O)C)OC)C.[I-]

InChI

InChI=1S/C20H35O5S.HI/c1-13(2)8-9-16-19(4,25-16)18-17(23-5)15(24-14(3)21)10-11-20(18,22)12-26(6)7;/h8,15-18,22H,9-12H2,1-7H3;1H/q+1;/p-1