benzenesulfonic acid; (4-nitrophenyl)methyl (2S)-2-azanylpropanoate

Systemtic Name: benzenesulfonic acid; (4-nitrophenyl)methyl (2S)-2-azanylpropanoate Openeye Name: benzenesulfonic acid; (4-nitrophenyl)methyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid (4-nitrophenyl)methyl ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; (4-nitrophenyl)methyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid (4-nitrobenzyl) ester; besylic acid Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N.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-;/m0./s1