phenyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: phenyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: phenyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid phenyl ester IUPAC Name: phenyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid phenyl ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO5S/c1-28-19-12-11-14(13-18(19)22(25)26)20(23)16-9-5-6-10-17(16)21(24)27-15-7-3-2-4-8-15/h2-13H,1H3