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

Systemtic Name: [(E)-2-methyl-4-phenylsulfanyl-but-2-enyl] benzenesulfonate Openeye Name: [(E)-2-methyl-4-phenylsulfanyl-but-2-enyl] benzenesulfonate CAS Name: benzenesulfonic acid [(E)-2-methyl-4-(phenylthio)but-2-enyl] ester IUPAC Name: [(E)-2-methyl-4-phenylsulfanylbut-2-enyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(E)-2-methyl-4-(phenylthio)but-2-enyl] ester Formula: C17H18O3S2 MolecularWeight: 334.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=CC=CC=C1)COS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C/C(=C\CSC1=CC=CC=C1)/COS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18O3S2/c1-15(12-13-21-16-8-4-2-5-9-16)14-20-22(18,19)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3/b15-12+