O3-[2,5-bis(methylsulfonyloxy)cyclohexyl] O1-methyl 5-prop-2-enylbenzene-1,3-dicarboxylate

Systemtic Name: O3-[2,5-bis(methylsulfonyloxy)cyclohexyl] O1-methyl 5-prop-2-enylbenzene-1,3-dicarboxylate Openeye Name: O3-[2,5-bis(methylsulfonyloxy)cyclohexyl] O1-methyl 5-allylbenzene-1,3-dicarboxylate CAS Name: 5-prop-2-enylbenzene-1,3-dicarboxylic acid O3-[2,5-bis(methylsulfonyloxy)cyclohexyl] ester O1-methyl ester IUPAC Name: 3-O-[2,5-bis(methylsulfonyloxy)cyclohexyl] 1-O-methyl 5-prop-2-enylbenzene-1,3-dicarboxylate Traditional Name: 5-allylbenzene-1,3-dicarboxylic acid O3-[2,5-bis(methylsulfonyloxy)cyclohexyl] ester O1-methyl ester Formula: C20H26O10S2 MolecularWeight: 490.54444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)OC2CC(CCC2OS(=O)(=O)C)OS(=O)(=O)C)CC=C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)OC2CC(CCC2OS(=O)(=O)C)OS(=O)(=O)C)CC=C

InChI

InChI=1S/C20H26O10S2/c1-5-6-13-9-14(19(21)27-2)11-15(10-13)20(22)28-18-12-16(29-31(3,23)24)7-8-17(18)30-32(4,25)26/h5,9-11,16-18H,1,6-8,12H2,2-4H3