(2S)-3-methyl-2-(4-nitrophenyl)sulfanyl-butanoate

Systemtic Name: (2S)-3-methyl-2-(4-nitrophenyl)sulfanyl-butanoate Openeye Name: (2S)-3-methyl-2-(4-nitrophenyl)sulfanyl-butanoate CAS Name: (2S)-3-methyl-2-[(4-nitrophenyl)thio]butanoate IUPAC Name: (2S)-3-methyl-2-(4-nitrophenyl)sulfanylbutanoate Traditional Name: (2S)-3-methyl-2-[(4-nitrophenyl)thio]butyrate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-7(2)10(11(13)14)17-9-5-3-8(4-6-9)12(15)16/h3-7,10H,1-2H3,(H,13,14)/p-1/t10-/m0/s1