3-chloranyl-2,4,6-trimethyl-2,5-dinitro-6-oxidanyl-cyclohex-3-en-1-one

Systemtic Name: 3-chloranyl-2,4,6-trimethyl-2,5-dinitro-6-oxidanyl-cyclohex-3-en-1-one Openeye Name: 3-chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-cyclohex-3-en-1-one CAS Name: 3-chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-1-cyclohex-3-enone IUPAC Name: 3-chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitrocyclohex-3-en-1-one Traditional Name: 3-chloro-6-hydroxy-2,4,6-trimethyl-2,5-dinitro-cyclohex-3-en-1-one Formula: C9H11ClN2O6 MolecularWeight: 278.64644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)C(C1[N+](=O)[O-])(C)O)(C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(C(=O)C(C1[N+](=O)[O-])(C)O)(C)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H11ClN2O6/c1-4-5(10)8(2,12(17)18)7(13)9(3,14)6(4)11(15)16/h6,14H,1-3H3