[(2S)-butan-2-yl] 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate

Systemtic Name: [(2S)-butan-2-yl] 2-[(S)-(2-nitrophenyl)sulfinyl]ethanoate Openeye Name: [(1S)-1-methylpropyl] 2-[(S)-(2-nitrophenyl)sulfinyl]acetate CAS Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] 2-[(S)-(2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(2-nitrophenyl)sulfinyl]acetic acid [(1S)-1-methylpropyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CS(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)OC(=O)C[S@](=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5S/c1-3-9(2)18-12(14)8-19(17)11-7-5-4-6-10(11)13(15)16/h4-7,9H,3,8H2,1-2H3/t9-,19-/m0/s1