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

Systemtic Name: 2-(4-butoxyphenyl)-4,8-dinitro-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitro-anthracene-9,10-dione CAS Name: 2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione IUPAC Name: 2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione Traditional Name: 2-(4-butoxyphenyl)-1,5-dihydroxy-4,8-dinitro-9,10-anthraquinone Formula: C24H18N2O9 MolecularWeight: 478.40772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O9/c1-2-3-10-35-13-6-4-12(5-7-13)14-11-16(26(33)34)19-21(22(14)28)24(30)18-15(25(31)32)8-9-17(27)20(18)23(19)29/h4-9,11,27-28H,2-3,10H2,1H3