3,3,6,6-tetramethyl-9-(3-nitro-4-oxidanyl-phenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 3,3,6,6-tetramethyl-9-(3-nitro-4-oxidanyl-phenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-hydroxy-3-nitro-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(4-hydroxy-3-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(4-hydroxy-3-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-hydroxy-3-nitro-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)C1)C

InChI

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