3-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[hydroxy-(4-methylsulfonyl-2-nitro-phenyl)methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[hydroxy-(4-methylsulfonyl-2-nitrophenyl)methylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[hydroxy-(4-methylsulfonyl-2-nitrophenyl)methylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[hydroxy-(4-mesyl-2-nitro-phenyl)methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C16H15NO7S MolecularWeight: 365.3578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO7S/c1-25(23,24)10-4-5-11(12(7-10)17(21)22)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,20H,2-3,6H2,1H3