[3-di(propan-2-yloxy)phosphoryl-3,3-bis(fluoranyl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-di(propan-2-yloxy)phosphoryl-3,3-bis(fluoranyl)propyl] 4-methylbenzenesulfonate Openeye Name: (3-diisopropoxyphosphoryl-3,3-difluoro-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-di(propan-2-yloxy)phosphoryl-3,3-difluoropropyl] ester IUPAC Name: [3-di(propan-2-yloxy)phosphoryl-3,3-difluoropropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-diisopropoxyphosphoryl-3,3-difluoro-propyl) ester Formula: C16H25F2O6PS MolecularWeight: 414.401667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(F)(F)P(=O)(OC(C)C)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(F)(F)P(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C16H25F2O6PS/c1-12(2)23-25(19,24-13(3)4)16(17,18)10-11-22-26(20,21)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3