phenyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: phenyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: phenyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid phenyl ester Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)[N+](=O)[O-]

InChI

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