2-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid Openeye Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid CAS Name: 2-[2-(4-nitrophenyl)ethylthio]propanoic acid IUPAC Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]propanoic acid Traditional Name: 2-[2-(4-nitrophenyl)ethylthio]propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-8(11(13)14)17-7-6-9-2-4-10(5-3-9)12(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)