3-[(2-nitrophenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-nitrophenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-nitrophenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-nitrophenyl)methylthio]propanoic acid IUPAC Name: 3-[(2-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-nitrobenzyl)thio]propionic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c12-10(13)5-6-16-7-8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,12,13)