copper; 1-azanylanthracene-9,10-dione; 3,9-bis(bromanyl)benzo[b]phenalen-7-one; oxygen(2-)

Systemtic Name: copper; 1-azanylanthracene-9,10-dione; 3,9-bis(bromanyl)benzo[b]phenalen-7-one; oxygen(2-) Openeye Name: copper; 1-aminoanthracene-9,10-dione; 3,9-dibromobenzo[b]phenalen-7-one; oxygen(2-) CAS Name: copper; 1-aminoanthracene-9,10-dione; 3,9-dibromo-7-benzo[b]phenalenone; oxygen(2-) IUPAC Name: copper; 1-aminoanthracene-9,10-dione; 3,9-dibromobenzo[b]phenalen-7-one; oxygen(2-) Traditional Name: cupric; 1-amino-9,10-anthraquinone; 3,9-dibromobenzo[b]phenalen-7-one; oxygen(2-) Formula: C31H17Br2CuNO4 MolecularWeight: 690.82498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N.C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)Br)Br.[O-2].[Cu+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N.C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)Br)Br.[O-2].[Cu+2]

InChI

InChI=1S/C17H8Br2O.C14H9NO2.Cu.O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9;15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16;;/h1-8H;1-7H,15H2;;/q;;+2;-2