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

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-(5-ethyl-4-nitro-thiophen-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(5-ethyl-4-nitro-2-thienyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(5-ethyl-4-nitro-2-thiophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(5-ethyl-4-nitrothiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(5-ethyl-4-nitro-2-thienyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C23H29NO6S/c1-6-17-12(24(29)30)7-18(31-17)21(19-13(25)8-22(2,3)9-14(19)26)20-15(27)10-23(4,5)11-16(20)28/h7,19,21,27H,6,8-11H2,1-5H3