2,7-bis(2-methylpropyl)-4,5-dinitro-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2,7-bis(2-methylpropyl)-4,5-dinitro-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,8-dihydroxy-2,7-diisobutyl-4,5-dinitro-anthracene-9,10-dione CAS Name: 1,8-dihydroxy-2,7-bis(2-methylpropyl)-4,5-dinitroanthracene-9,10-dione IUPAC Name: 1,8-dihydroxy-2,7-bis(2-methylpropyl)-4,5-dinitroanthracene-9,10-dione Traditional Name: 1,8-dihydroxy-2,7-diisobutyl-4,5-dinitro-9,10-anthraquinone Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)[N+](=O)[O-])CC(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC(=C2C(=C1O)C(=O)C3=C(C(=CC(=C3C2=O)[N+](=O)[O-])CC(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-9(2)5-11-7-13(23(29)30)15-17(19(11)25)22(28)18-16(21(15)27)14(24(31)32)8-12(20(18)26)6-10(3)4/h7-10,25-26H,5-6H2,1-4H3