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

Systemtic Name: 9-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C

InChI

InChI=1S/C25H29NO7/c1-6-32-17-8-13(7-14(23(17)29)26(30)31)20-21-15(27)9-24(2,3)11-18(21)33-19-12-25(4,5)10-16(28)22(19)20/h7-8,20,29H,6,9-12H2,1-5H3