(9S)-9-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one

Systemtic Name: (9S)-9-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one Openeye Name: (9S)-9-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one CAS Name: (9S)-9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one IUPAC Name: (9S)-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one Traditional Name: (9S)-9-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-1-one Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2C3=C(C=CC(=C3)[N+](=O)[O-])OC4=C2C(=O)CC(C4)(C)C)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@@H]2C3=C(C=CC(=C3)[N+](=O)[O-])OC4=C2C(=O)CC(C4)(C)C)O)C

InChI

InChI=1S/C23H25NO6/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24(28)29)5-6-17(13)30-18-11-23(3,4)10-16(27)21(18)19/h5-7,19,25H,8-11H2,1-4H3/t19-/m0/s1