[(E)-6-diphenylphosphoryl-2-oxidanyl-hex-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-6-diphenylphosphoryl-2-oxidanyl-hex-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-6-diphenylphosphoryl-2-hydroxy-hex-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-6-diphenylphosphoryl-2-hydroxyhex-5-enyl] ester IUPAC Name: [(E)-6-diphenylphosphoryl-2-hydroxyhex-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-6-diphenylphosphoryl-2-hydroxy-hex-5-enyl] ester Formula: C25H27O5PS MolecularWeight: 470.517641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCC=CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC/C=C/P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H27O5PS/c1-21-15-17-25(18-16-21)32(28,29)30-20-22(26)10-8-9-19-31(27,23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-7,9,11-19,22,26H,8,10,20H2,1H3/b19-9+