1,2,7-trinitroxanthen-9-one

Systemtic Name: 1,2,7-trinitroxanthen-9-one Openeye Name: 1,2,7-trinitroxanthen-9-one CAS Name: 1,2,7-trinitro-9-xanthenone IUPAC Name: 1,2,7-trinitroxanthen-9-one Traditional Name: 1,2,7-trinitroxanthone Formula: C13H5N3O8 MolecularWeight: 331.1941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H5N3O8/c17-13-7-5-6(14(18)19)1-3-9(7)24-10-4-2-8(15(20)21)12(11(10)13)16(22)23/h1-5H