methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid methyl ester Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4S/c1-14-9(11)6-3-4-8(15-2)7(5-6)10(12)13/h3-5H,1-2H3