[2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoranyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoranyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-(diisopropoxyphosphorylmethoxy)-3-fluoro-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] ester IUPAC Name: [2-[di(propan-2-yloxy)phosphorylmethoxy]-3-fluoropropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(diisopropoxyphosphorylmethoxy)-3-fluoro-propyl] ester Formula: C17H28FO7PS MolecularWeight: 426.437184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CF)OCP(=O)(OC(C)C)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CF)OCP(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C17H28FO7PS/c1-13(2)24-26(19,25-14(3)4)12-22-16(10-18)11-23-27(20,21)17-8-6-15(5)7-9-17/h6-9,13-14,16H,10-12H2,1-5H3