2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]propanoic acid IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]propionic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CC(C(=O)O)SCC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C11H13NO5S/c1-7(11(13)14)18-6-8-5-9(12(15)16)3-4-10(8)17-2/h3-5,7H,6H2,1-2H3,(H,13,14)