[(1R)-1-[(4S,5S)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]pentadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-[(4S,5S)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]pentadecyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(4S,5S)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]pentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-[(4S,5S)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]pentadecyl] ester IUPAC Name: [(1R)-1-[(4S,5S)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]pentadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(4S,5S)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]pentadecyl] ester Formula: C28H47N3O5S MolecularWeight: 537.75488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1C(COC(O1)(C)C)N=[N+]=[N-])OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@@H]1[C@H](COC(O1)(C)C)N=[N+]=[N-])OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C28H47N3O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26(27-25(30-31-29)22-34-28(3,4)35-27)36-37(32,33)24-20-18-23(2)19-21-24/h18-21,25-27H,5-17,22H2,1-4H3/t25-,26+,27-/m0/s1