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

Systemtic Name: 1,8-bis(2,4-dinitrophenoxy)-4,5-dinitro-anthracene-9,10-dione Openeye Name: 1,8-bis(2,4-dinitrophenoxy)-4,5-dinitro-anthracene-9,10-dione CAS Name: 1,8-bis(2,4-dinitrophenoxy)-4,5-dinitroanthracene-9,10-dione IUPAC Name: 1,8-bis(2,4-dinitrophenoxy)-4,5-dinitroanthracene-9,10-dione Traditional Name: 1,8-bis(2,4-dinitrophenoxy)-4,5-dinitro-9,10-anthraquinone Formula: C26H10N6O16 MolecularWeight: 662.3882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C3C(=C(C=C2)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C3=O)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C3C(=C(C=C2)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C3=O)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H10N6O16/c33-25-21-13(29(39)40)3-7-19(47-17-5-1-11(27(35)36)9-15(17)31(43)44)23(21)26(34)24-20(8-4-14(22(24)25)30(41)42)48-18-6-2-12(28(37)38)10-16(18)32(45)46/h1-10H