(2S)-2-[4-(3-nitrophenyl)phenyl]sulfanylpropanoic acid

Systemtic Name: (2S)-2-[4-(3-nitrophenyl)phenyl]sulfanylpropanoic acid Openeye Name: (2S)-2-[4-(3-nitrophenyl)phenyl]sulfanylpropanoic acid CAS Name: (2S)-2-[[4-(3-nitrophenyl)phenyl]thio]propanoic acid IUPAC Name: (2S)-2-[4-(3-nitrophenyl)phenyl]sulfanylpropanoic acid Traditional Name: (2S)-2-[[4-(3-nitrophenyl)phenyl]thio]propionic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c1-10(15(17)18)21-14-7-5-11(6-8-14)12-3-2-4-13(9-12)16(19)20/h2-10H,1H3,(H,17,18)/t10-/m0/s1