dibenzofuran-2-yl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: dibenzofuran-2-yl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: dibenzofuran-2-yl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid dibenzofuran-2-yl ester Formula: C20H13NO5S MolecularWeight: 379.38592

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO5S/c1-27-19-9-6-12(10-16(19)21(23)24)20(22)25-13-7-8-18-15(11-13)14-4-2-3-5-17(14)26-18/h2-11H,1H3