[(E)-2-methyl-4-phenylsulfanyl-but-2-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-2-methyl-4-phenylsulfanyl-but-2-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-2-methyl-4-phenylsulfanyl-but-2-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-2-methyl-4-(phenylthio)but-2-enyl] ester IUPAC Name: [(E)-2-methyl-4-phenylsulfanylbut-2-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-2-methyl-4-(phenylthio)but-2-enyl] ester Formula: C18H20O3S2 MolecularWeight: 348.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=CCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC/C(=C/CSC2=CC=CC=C2)/C

InChI

InChI=1S/C18H20O3S2/c1-15-8-10-18(11-9-15)23(19,20)21-14-16(2)12-13-22-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3/b16-12+