[(1S,2R)-2-bis(phenylmethoxy)phosphorylcyclopropyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,2R)-2-bis(phenylmethoxy)phosphorylcyclopropyl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,2R)-2-dibenzyloxyphosphorylcyclopropyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2R)-2-bis(phenylmethoxy)phosphorylcyclopropyl]methyl ester IUPAC Name: [(1S,2R)-2-bis(phenylmethoxy)phosphorylcyclopropyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2R)-2-dibenzoxyphosphorylcyclopropyl]methyl ester Formula: C25H27O6PS MolecularWeight: 486.517041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC2P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@H]2P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27O6PS/c1-20-12-14-24(15-13-20)33(27,28)31-19-23-16-25(23)32(26,29-17-21-8-4-2-5-9-21)30-18-22-10-6-3-7-11-22/h2-15,23,25H,16-19H2,1H3/t23-,25+/m0/s1