ethyl-(4-methylphenyl)-octyl-sulfanium; propane-1-sulfonate

Systemtic Name: ethyl-(4-methylphenyl)-octyl-sulfanium; propane-1-sulfonate Openeye Name: ethyl-octyl-(p-tolyl)sulfonium; propane-1-sulfonate CAS Name: ethyl-(4-methylphenyl)-octylsulfonium; 1-propanesulfonate IUPAC Name: ethyl-(4-methylphenyl)-octylsulfanium; propane-1-sulfonate Traditional Name: ethyl-octyl-(p-tolyl)sulfonium; propane-1-sulfonate Formula: C20H36O3S2 MolecularWeight: 388.62804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29S.C3H8O3S/c1-4-6-7-8-9-10-15-18(5-2)17-13-11-16(3)12-14-17;1-2-3-7(4,5)6/h11-14H,4-10,15H2,1-3H3;2-3H2,1H3,(H,4,5,6)/q+1;/p-1