(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione Openeye Name: (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) methanesulfonate; 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: methanesulfonic acid (2-ethoxy-3,3-dimethyl-2H-benzofuran-5-yl) ester; 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate; 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone; methanesulfonic acid (2-ethoxy-3,3-dimethyl-coumaran-5-yl) ester Formula: C27H31NO12S2 MolecularWeight: 625.66454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S.C13H18O5S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17;1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h5-7,13H,2-4H2,1H3;6-8,12H,5H2,1-4H3