3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoate Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]propanoate IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)thio]propionate Formula: C11H12NO5S- MolecularWeight: 270.28168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSCCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSCCC(=O)[O-]

InChI

InChI=1S/C11H13NO5S/c1-17-10-3-2-9(12(15)16)6-8(10)7-18-5-4-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)/p-1