[3-azido-2-[6-(phosphanyloxymethyl)oxan-2-yl]oxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-azido-2-[6-(phosphanyloxymethyl)oxan-2-yl]oxy-propyl] 4-methylbenzenesulfonate Openeye Name: [3-azido-2-[6-(phosphanyloxymethyl)tetrahydropyran-2-yl]oxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-azido-2-[[6-(phosphinooxymethyl)-2-oxanyl]oxy]propyl] ester IUPAC Name: [3-azido-2-[6-(phosphanyloxymethyl)oxan-2-yl]oxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-azido-2-[6-(phosphinooxymethyl)tetrahydropyran-2-yl]oxy-propyl] ester Formula: C16H24N3O6PS MolecularWeight: 417.417021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=[N+]=[N-])OC2CCCC(O2)COP

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=[N+]=[N-])OC2CCCC(O2)COP

InChI

InChI=1S/C16H24N3O6PS/c1-12-5-7-15(8-6-12)27(20,21)23-11-14(9-18-19-17)25-16-4-2-3-13(24-16)10-22-26/h5-8,13-14,16H,2-4,9-11,26H2,1H3