cyclopropyl-phenyl-propyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: cyclopropyl-phenyl-propyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: cyclopropyl-phenyl-propyl-sulfonium; 4-methylbenzenesulfonate CAS Name: cyclopropyl-phenyl-propylsulfonium; 4-methylbenzenesulfonate IUPAC Name: cyclopropyl-phenyl-propylsulfanium; 4-methylbenzenesulfonate Traditional Name: cyclopropyl-phenyl-propyl-sulfonium tosylate Formula: C19H24O3S2 MolecularWeight: 364.52206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17S.C7H8O3S/c1-2-10-13(12-8-9-12)11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,12H,2,8-10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1