(4-methylphenyl)carbonyl-di(undecyl)sulfanium sulfate

Systemtic Name: (4-methylphenyl)carbonyl-di(undecyl)sulfanium sulfate Openeye Name: (4-methylbenzoyl)-di(undecyl)sulfonium sulfate CAS Name: [(4-methylphenyl)-oxomethyl]-di(undecyl)sulfonium sulfate IUPAC Name: (4-methylbenzoyl)-di(undecyl)sulfanium sulfate Traditional Name: p-toluoyl-di(undecyl)sulfonium sulfate Formula: C30H53O5S2- MolecularWeight: 557.86882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[S+](CCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC[S+](CCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C30H53OS.H2O4S/c1-4-6-8-10-12-14-16-18-20-26-32(30(31)29-24-22-28(3)23-25-29)27-21-19-17-15-13-11-9-7-5-2;1-5(2,3)4/h22-25H,4-21,26-27H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2