methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid methyl ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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