(4-methylsulfanylphenyl) 3-nitrobenzoate

Systemtic Name: (4-methylsulfanylphenyl) 3-nitrobenzoate Openeye Name: (4-methylsulfanylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(methylthio)phenyl] ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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