methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid methyl ester Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4S/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3