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

Systemtic Name: 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoate IUPAC Name: 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoate Formula: C15H10NO5S- MolecularWeight: 316.3086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO5S/c1-22-13-7-6-9(8-12(13)16(20)21)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,18,19)/p-1