1,4,5-trinitro-8-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1,4,5-trinitro-8-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-4,5,8-trinitro-anthracene-9,10-dione CAS Name: 1-hydroxy-4,5,8-trinitroanthracene-9,10-dione IUPAC Name: 1-hydroxy-4,5,8-trinitroanthracene-9,10-dione Traditional Name: 1-hydroxy-4,5,8-trinitro-9,10-anthraquinone Formula: C14H5N3O9 MolecularWeight: 359.2042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H5N3O9/c18-8-4-3-7(17(25)26)11-12(8)14(20)10-6(16(23)24)2-1-5(15(21)22)9(10)13(11)19/h1-4,18H