[4-cyclohexyl-2,5-dimethyl-3-(methylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [4-cyclohexyl-2,5-dimethyl-3-(methylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [4-cyclohexyl-2,5-dimethyl-3-(methylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [4-cyclohexyl-2,5-dimethyl-3-(methylcarbamoyloxy)phenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [4-cyclohexyl-2,5-dimethyl-3-(methylcarbamoyloxy)phenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [4-cyclohexyl-2,5-dimethyl-3-(methylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C19H31NO6S2 MolecularWeight: 433.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2CCCCC2)OC(=O)NC)C)[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1C2CCCCC2)OC(=O)NC)C)[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H27NO2S.CH4O4S/c1-12-11-15(22(4)5)13(2)17(21-18(20)19-3)16(12)14-9-7-6-8-10-14;1-5-6(2,3)4/h11,14H,6-10H2,1-5H3;1H3,(H,2,3,4)