3-(4-methoxy-2-nitro-phenyl)sulfanylpropanoate

Systemtic Name: 3-(4-methoxy-2-nitro-phenyl)sulfanylpropanoate Openeye Name: 3-(4-methoxy-2-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(4-methoxy-2-nitrophenyl)thio]propanoate IUPAC Name: 3-(4-methoxy-2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-methoxy-2-nitro-phenyl)thio]propionate Formula: C10H10NO5S- MolecularWeight: 256.2551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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