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

Systemtic Name: dimethyl-[2-[4-(2-oxidanyl-3-phenoxy-propoxy)phenoxy]ethyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: 2-[4-(2-hydroxy-3-phenoxy-propoxy)phenoxy]ethyl-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 2-[4-(2-hydroxy-3-phenoxypropoxy)phenoxy]ethyl-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-[4-(2-hydroxy-3-phenoxypropoxy)phenoxy]ethyl-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: 2-[4-(2-hydroxy-3-phenoxy-propoxy)phenoxy]ethyl-dimethyl-sulfonium tosylate Formula: C26H32O7S2 MolecularWeight: 520.65808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCOC1=CC=C(C=C1)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCOC1=CC=C(C=C1)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C19H25O4S.C7H8O3S/c1-24(2)13-12-21-18-8-10-19(11-9-18)23-15-16(20)14-22-17-6-4-3-5-7-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-11,16,20H,12-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1