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

Systemtic Name: [4-cyclohexyl-2,5-dimethyl-3-(phenylcarbamoyloxy)phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [4-cyclohexyl-2,5-dimethyl-3-(phenylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [3-[anilino(oxo)methoxy]-4-cyclohexyl-2,5-dimethylphenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [4-cyclohexyl-2,5-dimethyl-3-(phenylcarbamoyloxy)phenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [4-cyclohexyl-2,5-dimethyl-3-(phenylcarbamoyloxy)phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C24H33NO6S2 MolecularWeight: 495.65192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2CCCCC2)OC(=O)NC3=CC=CC=C3)C)[S+](C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1C2CCCCC2)OC(=O)NC3=CC=CC=C3)C)[S+](C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H29NO2S.CH4O4S/c1-16-15-20(27(3)4)17(2)22(21(16)18-11-7-5-8-12-18)26-23(25)24-19-13-9-6-10-14-19;1-5-6(2,3)4/h6,9-10,13-15,18H,5,7-8,11-12H2,1-4H3;1H3,(H,2,3,4)