hexadecan-2-yl(dimethyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: hexadecan-2-yl(dimethyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: dimethyl(1-methylpentadecyl)sulfonium; 4-methylbenzenesulfonate CAS Name: hexadecan-2-yl(dimethyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: hexadecan-2-yl(dimethyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: dimethyl(1-methylpentadecyl)sulfonium tosylate Formula: C25H46O3S2 MolecularWeight: 458.76094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H39S.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h18H,5-17H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1