[(1S,2S)-2-bis(phenylmethoxy)phosphoryl-2-phenyl-cyclopropyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-bis(phenylmethoxy)phosphoryl-2-phenyl-cyclopropyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-dibenzyloxyphosphoryl-2-phenyl-cyclopropyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-bis(phenylmethoxy)phosphoryl-2-phenylcyclopropyl]methyl ester IUPAC Name: [(1S,2S)-2-bis(phenylmethoxy)phosphoryl-2-phenylcyclopropyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-dibenzoxyphosphoryl-2-phenyl-cyclopropyl]methyl ester Formula: C31H31O6PS MolecularWeight: 562.613001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC2(C3=CC=CC=C3)P(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@]2(C3=CC=CC=C3)P(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H31O6PS/c1-25-17-19-30(20-18-25)39(33,34)37-24-29-21-31(29,28-15-9-4-10-16-28)38(32,35-22-26-11-5-2-6-12-26)36-23-27-13-7-3-8-14-27/h2-20,29H,21-24H2,1H3/t29-,31+/m0/s1