5,5-dimethyl-2-[(S)-(5-nitro-2-oxidanyl-phenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-[(S)-(5-nitro-2-oxidanyl-phenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(S)-(2-hydroxy-5-nitro-phenyl)-(2-hydroxy-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(S)-(2-hydroxy-5-nitrophenyl)-(2-hydroxy-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(S)-(2-hydroxy-5-nitrophenyl)-(2-hydroxy-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(S)-(2-hydroxy-6-keto-cyclohexen-1-yl)-(2-hydroxy-5-nitro-phenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])O)C3=C(CCCC3=O)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@@H](C2=C(C=CC(=C2)[N+](=O)[O-])O)C3=C(CCCC3=O)O)O)C

InChI

InChI=1S/C21H23NO7/c1-21(2)9-16(26)20(17(27)10-21)18(19-14(24)4-3-5-15(19)25)12-8-11(22(28)29)6-7-13(12)23/h6-8,18,23-24,26H,3-5,9-10H2,1-2H3/t18-/m0/s1