methyl 3,5-dinitro-2-(phenylmethylsulfanyl)benzoate

Systemtic Name: methyl 3,5-dinitro-2-(phenylmethylsulfanyl)benzoate Openeye Name: methyl 2-benzylsulfanyl-3,5-dinitro-benzoate CAS Name: 3,5-dinitro-2-(phenylmethylthio)benzoic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-3,5-dinitrobenzoate Traditional Name: 2-(benzylthio)-3,5-dinitro-benzoic acid methyl ester Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1SCC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6S/c1-23-15(18)12-7-11(16(19)20)8-13(17(21)22)14(12)24-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3