1-(4-methyl-3-propylsulfanyl-phenoxy)propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-(4-methyl-3-propylsulfanyl-phenoxy)propan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(4-methyl-3-propylsulfanyl-phenoxy)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[4-methyl-3-(propylthio)phenoxy]propan-2-yl ester IUPAC Name: 1-(4-methyl-3-propylsulfanylphenoxy)propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-2-[4-methyl-3-(propylthio)phenoxy]ethyl] ester Formula: C20H26O4S2 MolecularWeight: 394.54804

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)OCC(C)OS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCSC1=C(C=CC(=C1)OCC(C)OS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H26O4S2/c1-5-12-25-20-13-18(9-8-16(20)3)23-14-17(4)24-26(21,22)19-10-6-15(2)7-11-19/h6-11,13,17H,5,12,14H2,1-4H3