2-bromanyl-4,8-dinitro-1,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-bromanyl-4,8-dinitro-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2-bromo-1,5-dihydroxy-4,8-dinitro-anthracene-9,10-dione CAS Name: 2-bromo-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione IUPAC Name: 2-bromo-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione Traditional Name: 2-bromo-1,5-dihydroxy-4,8-dinitro-9,10-anthraquinone Formula: C14H5BrN2O8 MolecularWeight: 409.1021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC(=C3O)Br)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC(=C3O)Br)[N+](=O)[O-])O

InChI

InChI=1S/C14H5BrN2O8/c15-4-3-6(17(24)25)9-11(12(4)19)14(21)8-5(16(22)23)1-2-7(18)10(8)13(9)20/h1-3,18-19H