2-[4-(3-methoxy-2-oxidanyl-propoxy)phenoxy]ethyl-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(3-methoxy-2-oxidanyl-propoxy)phenoxy]ethyl-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: 2-[4-(2-hydroxy-3-methoxy-propoxy)phenoxy]ethyl-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 2-[4-(2-hydroxy-3-methoxypropoxy)phenoxy]ethyl-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-[4-(2-hydroxy-3-methoxypropoxy)phenoxy]ethyl-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: 2-[4-(2-hydroxy-3-methoxy-propoxy)phenoxy]ethyl-dimethyl-sulfonium tosylate Formula: C21H30O7S2 MolecularWeight: 458.5887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC(COC1=CC=C(C=C1)OCC[S+](C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC(COC1=CC=C(C=C1)OCC[S+](C)C)O

InChI

InChI=1S/C14H23O4S.C7H8O3S/c1-16-10-12(15)11-18-14-6-4-13(5-7-14)17-8-9-19(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,12,15H,8-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1