methyl sulfate; 1-phenyltetradecan-2-ylsulfanium

Systemtic Name: methyl sulfate; 1-phenyltetradecan-2-ylsulfanium Openeye Name: 1-benzyltridecylsulfonium; methyl sulfate CAS Name: methyl sulfate; 1-phenyltetradecan-2-ylsulfonium IUPAC Name: methyl sulfate; 1-phenyltetradecan-2-ylsulfanium Traditional Name: 1-benzyltridecylsulfonium; methyl sulfate Formula: C21H38O4S2 MolecularWeight: 418.65402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC1=CC=CC=C1)[SH2+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CC1=CC=CC=C1)[SH2+].COS(=O)(=O)[O-]

InChI

InChI=1S/C20H34S.CH4O4S/c1-2-3-4-5-6-7-8-9-10-14-17-20(21)18-19-15-12-11-13-16-19;1-5-6(2,3)4/h11-13,15-16,20-21H,2-10,14,17-18H2,1H3;1H3,(H,2,3,4)