2,6-dibutyl-4,8-dinitro-1,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2,6-dibutyl-4,8-dinitro-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2,6-dibutyl-1,5-dihydroxy-4,8-dinitro-anthracene-9,10-dione CAS Name: 2,6-dibutyl-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione IUPAC Name: 2,6-dibutyl-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione Traditional Name: 2,6-dibutyl-1,5-dihydroxy-4,8-dinitro-9,10-anthraquinone Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-3-5-7-11-9-13(23(29)30)15-17(19(11)25)21(27)16-14(24(31)32)10-12(8-6-4-2)20(26)18(16)22(15)28/h9-10,25-26H,3-8H2,1-2H3