5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-2-nitro-indene-1,3-dione

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-2-nitro-indene-1,3-dione Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-nitro-indane-1,3-dione CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-nitroindene-1,3-dione IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-nitroindene-1,3-dione Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-nitro-indane-1,3-quinone Formula: C23H23NO9 MolecularWeight: 457.43002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-])O

InChI

InChI=1S/C23H23NO9/c1-3-4-17-19(8-7-15(12(2)25)21(17)27)33-11-13(26)10-32-14-5-6-16-18(9-14)23(29)20(22(16)28)24(30)31/h5-9,13,20,26-27H,3-4,10-11H2,1-2H3