9-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2,6,7-trihydroxy-xanthen-3-one CAS Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,6,7-trihydroxy-3-xanthenone IUPAC Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,6,7-trihydroxyxanthen-3-one Traditional Name: 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2,6,7-trihydroxy-fluorone Formula: C21H15NO9 MolecularWeight: 425.3451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O

InChI

InChI=1S/C21H15NO9/c1-2-30-19-4-9(3-12(21(19)27)22(28)29)20-10-5-13(23)15(25)7-17(10)31-18-8-16(26)14(24)6-11(18)20/h3-8,23-25,27H,2H2,1H3