(2R)-2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropanoic acid

Systemtic Name: (2R)-2-[2-nitro-4-(phenylcarbonyl)phenyl]sulfanylpropanoic acid Openeye Name: (2R)-2-(4-benzoyl-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: (2R)-2-[(4-benzoyl-2-nitrophenyl)thio]propanoic acid IUPAC Name: (2R)-2-(4-benzoyl-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-[(4-benzoyl-2-nitro-phenyl)thio]propionic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)O)SC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-10(16(19)20)23-14-8-7-12(9-13(14)17(21)22)15(18)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)/t10-/m1/s1