benzenesulfonate; [(2R)-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: benzenesulfonate; [(2R)-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: benzenesulfonate; [(1R)-1-methyl-2-[(4-nitrophenyl)methoxy]-2-oxo-ethyl]ammonium CAS Name: benzenesulfonate; [(2R)-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]ammonium IUPAC Name: benzenesulfonate; [(2R)-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-nitrobenzyl)oxy-ethyl]ammonium besylate Formula: C16H18N2O7S MolecularWeight: 382.38832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[NH3+].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])[NH3+].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2O4.C6H6O3S/c1-7(11)10(13)16-6-8-2-4-9(5-3-8)12(14)15;7-10(8,9)6-4-2-1-3-5-6/h2-5,7H,6,11H2,1H3;1-5H,(H,7,8,9)/t7-;/m1./s1