[(2R)-4-bis(phenylmethoxy)phosphoryl-2-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-4-bis(phenylmethoxy)phosphoryl-2-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-4-dibenzyloxyphosphoryl-2-hydroxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-4-bis(phenylmethoxy)phosphoryl-2-hydroxybutyl] ester IUPAC Name: [(2R)-4-bis(phenylmethoxy)phosphoryl-2-hydroxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-4-dibenzoxyphosphoryl-2-hydroxy-butyl] ester Formula: C25H29O7PS MolecularWeight: 504.532321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CCP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H29O7PS/c1-21-12-14-25(15-13-21)34(28,29)32-20-24(26)16-17-33(27,30-18-22-8-4-2-5-9-22)31-19-23-10-6-3-7-11-23/h2-15,24,26H,16-20H2,1H3/t24-/m1/s1