[4-(4-chloranyl-2-nitro-phenyl)carbonyl-3,5-bis(oxidanylidene)cyclohexyl]methyl methanesulfonate

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)carbonyl-3,5-bis(oxidanylidene)cyclohexyl]methyl methanesulfonate Openeye Name: [4-(4-chloro-2-nitro-benzoyl)-3,5-dioxo-cyclohexyl]methyl methanesulfonate CAS Name: methanesulfonic acid [4-[(4-chloro-2-nitrophenyl)-oxomethyl]-3,5-dioxocyclohexyl]methyl ester IUPAC Name: [4-(4-chloro-2-nitrobenzoyl)-3,5-dioxocyclohexyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(4-chloro-2-nitro-benzoyl)-3,5-diketo-cyclohexyl]methyl ester Formula: C15H14ClNO8S MolecularWeight: 403.79156

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClNO8S/c1-26(23,24)25-7-8-4-12(18)14(13(19)5-8)15(20)10-3-2-9(16)6-11(10)17(21)22/h2-3,6,8,14H,4-5,7H2,1H3