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

Systemtic Name: [(2R)-4-diphenylphosphoryl-2-oxidanyl-hex-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-4-diphenylphosphoryl-2-hydroxy-hex-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-4-diphenylphosphoryl-2-hydroxyhex-5-enyl] ester IUPAC Name: [(2R)-4-diphenylphosphoryl-2-hydroxyhex-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-4-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(CC(C=C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CC(C=C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H27O5PS/c1-3-22(18-21(26)19-30-32(28,29)25-16-14-20(2)15-17-25)31(27,23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3-17,21-22,26H,1,18-19H2,2H3/t21-,22?/m1/s1