3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)thio]propionic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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