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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]acetic acid CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]acetic acid IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]acetic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5S/c1-16-9-3-2-8(11(14)15)4-7(9)5-17-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)