dodecyl(dimethyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dodecyl(dimethyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dodecyl(dimethyl)sulfonium; 4-methylbenzenesulfonate CAS Name: dodecyl(dimethyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: dodecyl(dimethyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: lauryl(dimethyl)sulfonium tosylate Formula: C21H38O3S2 MolecularWeight: 402.65462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H31S.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1