3-[3-(3-ethoxy-2-propanoyloxy-propoxy)phenoxy]propyl-methyl-propyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: 3-[3-(3-ethoxy-2-propanoyloxy-propoxy)phenoxy]propyl-methyl-propyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: 3-[3-(3-ethoxy-2-propanoyloxy-propoxy)phenoxy]propyl-methyl-propyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 3-[3-[3-ethoxy-2-(1-oxopropoxy)propoxy]phenoxy]propyl-methyl-propylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 3-[3-(3-ethoxy-2-propanoyloxypropoxy)phenoxy]propyl-methyl-propylsulfanium; 4-methylbenzenesulfonate Traditional Name: 3-[3-(3-ethoxy-2-propionyloxy-propoxy)phenoxy]propyl-methyl-propyl-sulfonium tosylate Formula: C28H42O8S2 MolecularWeight: 570.75828

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Descriptors Computed from Structure

Canonical SMILES:

CCC[S+](C)CCCOC1=CC(=CC=C1)OCC(COCC)OC(=O)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[S+](C)CCCOC1=CC(=CC=C1)OCC(COCC)OC(=O)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H35O5S.C7H8O3S/c1-5-13-27(4)14-9-12-24-18-10-8-11-19(15-18)25-17-20(16-23-7-3)26-21(22)6-2;1-6-2-4-7(5-3-6)11(8,9)10/h8,10-11,15,20H,5-7,9,12-14,16-17H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1