(4-methylphenyl)carbonylsulfanium; octane-1-sulfonate

Systemtic Name: (4-methylphenyl)carbonylsulfanium; octane-1-sulfonate Openeye Name: (4-methylbenzoyl)sulfonium; octane-1-sulfonate CAS Name: [(4-methylphenyl)-oxomethyl]sulfonium; 1-octanesulfonate IUPAC Name: (4-methylbenzoyl)sulfanium; octane-1-sulfonate Traditional Name: octane-1-sulfonate; p-toluoylsulfonium Formula: C16H26O4S2 MolecularWeight: 346.50524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CC1=CC=C(C=C1)C(=O)[SH2+]

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CC1=CC=C(C=C1)C(=O)[SH2+]

InChI

InChI=1S/C8H18O3S.C8H8OS/c1-2-3-4-5-6-7-8-12(9,10)11;1-6-2-4-7(5-3-6)8(9)10/h2-8H2,1H3,(H,9,10,11);2-5H,1H3,(H,9,10)