[(Z)-1-phenylsulfanylhex-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1-phenylsulfanylhex-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-1-phenylsulfanylhex-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1-(phenylthio)hex-1-enyl] ester IUPAC Name: [(Z)-1-phenylsulfanylhex-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-(phenylthio)hex-1-enyl] ester Formula: C19H22O3S2 MolecularWeight: 362.50618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(OS(=O)(=O)C1=CC=C(C=C1)C)SC2=CC=CC=C2

Isomeric SMILES

CCCC/C=C(/OS(=O)(=O)C1=CC=C(C=C1)C)\SC2=CC=CC=C2

InChI

InChI=1S/C19H22O3S2/c1-3-4-6-11-19(23-17-9-7-5-8-10-17)22-24(20,21)18-14-12-16(2)13-15-18/h5,7-15H,3-4,6H2,1-2H3/b19-11-