2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(5-nitrothiophen-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(5-nitrothiophen-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-(5-nitro-2-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(5-nitro-2-thiophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-nitrothiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-(5-nitro-2-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(S2)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(S2)[N+](=O)[O-])C3=C(CC(CC3=O)(C)C)O)C

InChI

InChI=1S/C21H25NO6S/c1-20(2)7-11(23)17(12(24)8-20)19(15-5-6-16(29-15)22(27)28)18-13(25)9-21(3,4)10-14(18)26/h5-6,17,19,25H,7-10H2,1-4H3