[(Z)-5-butoxy-4-oxidanyl-1-phenylselanyl-pent-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-5-butoxy-4-oxidanyl-1-phenylselanyl-pent-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-5-butoxy-4-hydroxy-1-phenylselanyl-pent-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-5-butoxy-4-hydroxy-1-(phenylseleno)pent-1-enyl] ester IUPAC Name: [(Z)-5-butoxy-4-hydroxy-1-phenylselanylpent-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-5-butoxy-4-hydroxy-1-(phenylseleno)pent-1-enyl] ester Formula: C22H28O5SSe MolecularWeight: 483.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CC=C(OS(=O)(=O)C1=CC=C(C=C1)C)[Se]C2=CC=CC=C2)O

Isomeric SMILES

CCCCOCC(C/C=C(/OS(=O)(=O)C1=CC=C(C=C1)C)\[Se]C2=CC=CC=C2)O

InChI

InChI=1S/C22H28O5SSe/c1-3-4-16-26-17-19(23)12-15-22(29-21-8-6-5-7-9-21)27-28(24,25)20-13-10-18(2)11-14-20/h5-11,13-15,19,23H,3-4,12,16-17H2,1-2H3/b22-15-