3-(4-methylsulfanyl-2-nitro-phenyl)carbonylbicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-(4-methylsulfanyl-2-nitro-phenyl)carbonylbicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-(4-methylsulfanyl-2-nitro-benzoyl)bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[[4-(methylthio)-2-nitrophenyl]-oxomethyl]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-(4-methylsulfanyl-2-nitrobenzoyl)bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[4-(methylthio)-2-nitro-benzoyl]bicyclo[3.2.1]octane-2,4-quinone Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)C2C(=O)C3CCC(C3)C2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)C2C(=O)C3CCC(C3)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-23-10-4-5-11(12(7-10)17(21)22)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,13H,2-3,6H2,1H3