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

Systemtic Name: [3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxidanyl-4-phenoxycarbonyloxy-cyclohexyl]methyl-dimethyl-sulfanium iodide Openeye Name: [1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-phenoxycarbonyloxy-cyclohexyl]methyl-dimethyl-sulfonium iodide CAS Name: [1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-4-[oxo(phenoxy)methoxy]cyclohexyl]methyl-dimethylsulfonium iodide IUPAC Name: [1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-phenoxycarbonyloxycyclohexyl]methyl-dimethylsulfanium iodide Traditional Name: [4-carbophenoxyoxy-1-hydroxy-3-methoxy-2-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]methyl-dimethyl-sulfonium iodide Formula: C25H37IO6S MolecularWeight: 592.52715

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)OC(=O)OC3=CC=CC=C3)OC)C.[I-]

Isomeric SMILES

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)C)O)OC(=O)OC3=CC=CC=C3)OC)C.[I-]

InChI

InChI=1S/C25H37O6S.HI/c1-17(2)12-13-20-24(3,31-20)22-21(28-4)19(14-15-25(22,27)16-32(5)6)30-23(26)29-18-10-8-7-9-11-18;/h7-12,19-22,27H,13-16H2,1-6H3;1H/q+1;/p-1