sodium [(2S,3S)-1-azido-3-bromanyl-4-[(4-methoxyphenyl)methoxy]butan-2-yl] sulfate

Systemtic Name: sodium [(2S,3S)-1-azido-3-bromanyl-4-[(4-methoxyphenyl)methoxy]butan-2-yl] sulfate Openeye Name: sodium [(1S,2S)-1-(azidomethyl)-2-bromo-3-[(4-methoxyphenyl)methoxy]propyl] sulfate CAS Name: sodium [(2S,3S)-1-azido-3-bromo-4-[(4-methoxyphenyl)methoxy]butan-2-yl] sulfate IUPAC Name: sodium [(2S,3S)-1-azido-3-bromo-4-[(4-methoxyphenyl)methoxy]butan-2-yl] sulfate Traditional Name: sodium [(1S,2S)-1-(azidomethyl)-2-bromo-3-p-anisyloxy-propyl] sulfate Formula: C12H15BrN3NaO6S MolecularWeight: 432.22277

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC(C(CN=[N+]=[N-])OS(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)COC[C@@H]([C@H](CN=[N+]=[N-])OS(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C12H16BrN3O6S.Na/c1-20-10-4-2-9(3-5-10)7-21-8-11(13)12(6-15-16-14)22-23(17,18)19;/h2-5,11-12H,6-8H2,1H3,(H,17,18,19);/q;+1/p-1/t11-,12-;/m0./s1