1,5-dinitroanthracene-9,10-dione; 1,8-dinitroanthracene-9,10-dione

Systemtic Name: 1,5-dinitroanthracene-9,10-dione; 1,8-dinitroanthracene-9,10-dione Openeye Name: 1,5-dinitroanthracene-9,10-dione; 1,8-dinitroanthracene-9,10-dione CAS Name: 1,5-dinitroanthracene-9,10-dione; 1,8-dinitroanthracene-9,10-dione IUPAC Name: 1,5-dinitroanthracene-9,10-dione; 1,8-dinitroanthracene-9,10-dione Traditional Name: 1,5-dinitro-9,10-anthraquinone; 1,8-dinitro-9,10-anthraquinone Formula: C28H12N4O12 MolecularWeight: 596.41448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-].C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-].C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/2C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)8-4-2-6-10(12(8)13)16(21)22;17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h2*1-6H