[2-[methoxycarbonyloxy-(4-methylphenyl)methyl]phenyl]sulfanium; methyl sulfate

Systemtic Name: [2-[methoxycarbonyloxy-(4-methylphenyl)methyl]phenyl]sulfanium; methyl sulfate Openeye Name: [2-[methoxycarbonyloxy(p-tolyl)methyl]phenyl]sulfonium; methyl sulfate CAS Name: [2-[methoxycarbonyloxy-(4-methylphenyl)methyl]phenyl]sulfonium; methyl sulfate IUPAC Name: [2-[methoxycarbonyloxy-(4-methylphenyl)methyl]phenyl]sulfanium; methyl sulfate Traditional Name: [2-[carbomethoxyoxy(p-tolyl)methyl]phenyl]sulfonium; methyl sulfate Formula: C17H20O7S2 MolecularWeight: 400.4665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2[SH2+])OC(=O)OC.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2[SH2+])OC(=O)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H16O3S.CH4O4S/c1-11-7-9-12(10-8-11)15(19-16(17)18-2)13-5-3-4-6-14(13)20;1-5-6(2,3)4/h3-10,15,20H,1-2H3;1H3,(H,2,3,4)