[2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)-4-oxidanyl-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)-4-oxidanyl-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-4-[(methylthio)methyl]cyclohexyl] ester IUPAC Name: [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-(methylsulfanylmethyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-hydroxy-2-methoxy-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-[(methylthio)methyl]cyclohexyl] ester Formula: C24H36O6S2 MolecularWeight: 484.66904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(C(C2OC)C3(C(O3)CC=C(C)C)C)(CSC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(C(C2OC)C3(C(O3)CC=C(C)C)C)(CSC)O

InChI

InChI=1S/C24H36O6S2/c1-16(2)7-12-20-23(4,29-20)22-21(28-5)19(13-14-24(22,25)15-31-6)30-32(26,27)18-10-8-17(3)9-11-18/h7-11,19-22,25H,12-15H2,1-6H3