2-(hydroxymethyl)-1,3,6,8-tetranitro-4,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-(hydroxymethyl)-1,3,6,8-tetranitro-4,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitro-anthracene-9,10-dione CAS Name: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione IUPAC Name: 4,5-dihydroxy-2-(hydroxymethyl)-1,3,6,8-tetranitroanthracene-9,10-dione Traditional Name: 4,5-dihydroxy-2-methylol-1,3,6,8-tetranitro-9,10-anthraquinone Formula: C15H6N4O13 MolecularWeight: 450.22714

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(=C1[N+](=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C2=C(C(=C1[N+](=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C(=C3O)[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2