methyl 3-nitro-2-phenylsulfanyl-benzoate

Systemtic Name: methyl 3-nitro-2-phenylsulfanyl-benzoate Openeye Name: methyl 3-nitro-2-phenylsulfanyl-benzoate CAS Name: 3-nitro-2-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-2-phenylsulfanylbenzoate Traditional Name: 3-nitro-2-(phenylthio)benzoic acid methyl ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C14H11NO4S/c1-19-14(16)11-8-5-9-12(15(17)18)13(11)20-10-6-3-2-4-7-10/h2-9H,1H3