(2S)-2-[(3-nitrophenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(3-nitrophenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(3-nitrophenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(3-nitrophenyl)methylthio]propanoate IUPAC Name: (2S)-2-[(3-nitrophenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(3-nitrobenzyl)thio]propionate Formula: C10H10NO4S- MolecularWeight: 240.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S/c1-7(10(12)13)16-6-8-3-2-4-9(5-8)11(14)15/h2-5,7H,6H2,1H3,(H,12,13)/p-1/t7-/m0/s1