3-[4-(3-ethoxy-2-oxidanyl-propoxy)phenoxy]propyl-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: 3-[4-(3-ethoxy-2-oxidanyl-propoxy)phenoxy]propyl-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: 3-[4-(3-ethoxy-2-hydroxy-propoxy)phenoxy]propyl-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 3-[4-(3-ethoxy-2-hydroxypropoxy)phenoxy]propyl-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 3-[4-(3-ethoxy-2-hydroxypropoxy)phenoxy]propyl-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: 3-[4-(3-ethoxy-2-hydroxy-propoxy)phenoxy]propyl-dimethyl-sulfonium tosylate Formula: C23H34O7S2 MolecularWeight: 486.64186

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COC1=CC=C(C=C1)OCCC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOCC(COC1=CC=C(C=C1)OCCC[S+](C)C)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H27O4S.C7H8O3S/c1-4-18-12-14(17)13-20-16-8-6-15(7-9-16)19-10-5-11-21(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h6-9,14,17H,4-5,10-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1