cyclopropyl-(4-methoxyphenyl)-tetradecyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: cyclopropyl-(4-methoxyphenyl)-tetradecyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclopropyl-(4-methoxyphenyl)-tetradecyl-sulfonium; 4-methylbenzenesulfonate CAS Name: cyclopropyl-(4-methoxyphenyl)-tetradecylsulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclopropyl-(4-methoxyphenyl)-tetradecylsulfanium; 4-methylbenzenesulfonate Traditional Name: cyclopropyl-(4-methoxyphenyl)-myristyl-sulfonium tosylate Formula: C31H48O4S2 MolecularWeight: 548.84042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[S+](C1CC1)C2=CC=C(C=C2)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[S+](C1CC1)C2=CC=C(C=C2)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C24H41OS.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26(24-19-20-24)23-17-15-22(25-2)16-18-23;1-6-2-4-7(5-3-6)11(8,9)10/h15-18,24H,3-14,19-21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1