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

Systemtic Name: 2,7-bis(4-methoxyphenyl)-4,5-dinitro-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,8-dihydroxy-2,7-bis(4-methoxyphenyl)-4,5-dinitro-anthracene-9,10-dione CAS Name: 1,8-dihydroxy-2,7-bis(4-methoxyphenyl)-4,5-dinitroanthracene-9,10-dione IUPAC Name: 1,8-dihydroxy-2,7-bis(4-methoxyphenyl)-4,5-dinitroanthracene-9,10-dione Traditional Name: 1,8-dihydroxy-2,7-bis(4-methoxyphenyl)-4,5-dinitro-9,10-anthraquinone Formula: C28H18N2O10 MolecularWeight: 542.44992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C(=CC(=C4C3=O)[N+](=O)[O-])C5=CC=C(C=C5)OC)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C(=CC(=C4C3=O)[N+](=O)[O-])C5=CC=C(C=C5)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C28H18N2O10/c1-39-15-7-3-13(4-8-15)17-11-19(29(35)36)21-23(25(17)31)28(34)24-22(27(21)33)20(30(37)38)12-18(26(24)32)14-5-9-16(40-2)10-6-14/h3-12,31-32H,1-2H3