1,4-bis(4-methyl-4-oxidanidyl-7-oxidanylidene-1,4-diazepan-4-ium-1-yl)-5,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis(4-methyl-4-oxidanidyl-7-oxidanylidene-1,4-diazepan-4-ium-1-yl)-5,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-7-oxo-1,4-diazepan-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-7-oxo-1,4-diazepan-4-ium-1-yl)anthracene-9,10-dione IUPAC Name: 1,4-dihydroxy-5,8-bis(4-methyl-4-oxido-7-oxo-1,4-diazepan-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1,4-dihydroxy-5,8-bis(7-keto-4-methyl-4-oxido-1,4-diazepan-4-ium-1-yl)-9,10-anthraquinone Formula: C26H28N4O8 MolecularWeight: 524.52252

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=O)N(CC1)C2=C3C(=C(C=C2)N4CC[N+](CCC4=O)(C)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)[O-]

Isomeric SMILES

C[N+]1(CCC(=O)N(CC1)C2=C3C(=C(C=C2)N4CC[N+](CCC4=O)(C)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)[O-]

InChI

InChI=1S/C26H28N4O8/c1-29(37)11-7-19(33)27(9-13-29)15-3-4-16(28-10-14-30(2,38)12-8-20(28)34)22-21(15)25(35)23-17(31)5-6-18(32)24(23)26(22)36/h3-6,31-32H,7-14H2,1-2H3