[(2S,3S,4S)-2-azido-3,4-bis(oxidanyl)octadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,4S)-2-azido-3,4-bis(oxidanyl)octadecyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S,4S)-2-azido-3,4-dihydroxy-octadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4S)-2-azido-3,4-dihydroxyoctadecyl] ester IUPAC Name: [(2S,3S,4S)-2-azido-3,4-dihydroxyoctadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,4S)-2-azido-3,4-dihydroxy-octadecyl] ester Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(COS(=O)(=O)C1=CC=C(C=C1)C)N=[N+]=[N-])O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](COS(=O)(=O)C1=CC=C(C=C1)C)N=[N+]=[N-])O)O

InChI

InChI=1S/C25H43N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)25(30)23(27-28-26)20-33-34(31,32)22-18-16-21(2)17-19-22/h16-19,23-25,29-30H,3-15,20H2,1-2H3/t23-,24-,25-/m0/s1