3-methylsulfanylpropyl 4-methylbenzenesulfonate

Systemtic Name: 3-methylsulfanylpropyl 4-methylbenzenesulfonate Openeye Name: 3-methylsulfanylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(methylthio)propyl ester IUPAC Name: 3-methylsulfanylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(methylthio)propyl ester Formula: C11H16O3S2 MolecularWeight: 260.37294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCSC

InChI

InChI=1S/C11H16O3S2/c1-10-4-6-11(7-5-10)16(12,13)14-8-3-9-15-2/h4-7H,3,8-9H2,1-2H3