[3,5-dimethyl-4-[octyl(phenyl)carbamoyl]oxy-phenyl]-dimethyl-sulfanium; methyl sulfate

Systemtic Name: [3,5-dimethyl-4-[octyl(phenyl)carbamoyl]oxy-phenyl]-dimethyl-sulfanium; methyl sulfate Openeye Name: [3,5-dimethyl-4-[octyl(phenyl)carbamoyl]oxy-phenyl]-dimethyl-sulfonium; methyl sulfate CAS Name: [3,5-dimethyl-4-[(N-octylanilino)-oxomethoxy]phenyl]-dimethylsulfonium; methyl sulfate IUPAC Name: [3,5-dimethyl-4-[octyl(phenyl)carbamoyl]oxyphenyl]-dimethylsulfanium; methyl sulfate Traditional Name: [3,5-dimethyl-4-[octyl(phenyl)carbamoyl]oxy-phenyl]-dimethyl-sulfonium; methyl sulfate Formula: C26H39NO6S2 MolecularWeight: 525.72096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=CC=CC=C1)C(=O)OC2=C(C=C(C=C2C)[S+](C)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCN(C1=CC=CC=C1)C(=O)OC2=C(C=C(C=C2C)[S+](C)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H36NO2S.CH4O4S/c1-6-7-8-9-10-14-17-26(22-15-12-11-13-16-22)25(27)28-24-20(2)18-23(29(4)5)19-21(24)3;1-5-6(2,3)4/h11-13,15-16,18-19H,6-10,14,17H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1