1,4-bis[2-(1-oxidanidylazetidin-1-ium-1-yl)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis[2-(1-oxidanidylazetidin-1-ium-1-yl)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-5,8-bis[2-(1-oxidoazetidin-1-ium-1-yl)ethylamino]anthracene-9,10-dione CAS Name: 1,4-dihydroxy-5,8-bis[2-(1-oxido-1-azetidin-1-iumyl)ethylamino]anthracene-9,10-dione IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(1-oxidoazetidin-1-ium-1-yl)ethylamino]anthracene-9,10-dione Traditional Name: 1,4-dihydroxy-5,8-bis[2-(1-oxidoazetidin-1-ium-1-yl)ethylamino]-9,10-anthraquinone Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C1)(CCNC2=C3C(=C(C=C2)NCC[N+]4(CCC4)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)[O-]

Isomeric SMILES

C1C[N+](C1)(CCNC2=C3C(=C(C=C2)NCC[N+]4(CCC4)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)[O-]

InChI

InChI=1S/C24H28N4O6/c29-17-5-6-18(30)22-21(17)23(31)19-15(25-7-13-27(33)9-1-10-27)3-4-16(20(19)24(22)32)26-8-14-28(34)11-2-12-28/h3-6,25-26,29-30H,1-2,7-14H2