4,5-bis(azanyl)-2-bromanyl-1,8-bis(oxidanyl)-7-phenoxy-anthracene-9,10-dione

Systemtic Name: 4,5-bis(azanyl)-2-bromanyl-1,8-bis(oxidanyl)-7-phenoxy-anthracene-9,10-dione Openeye Name: 4,5-diamino-2-bromo-1,8-dihydroxy-7-phenoxy-anthracene-9,10-dione CAS Name: 4,5-diamino-2-bromo-1,8-dihydroxy-7-phenoxyanthracene-9,10-dione IUPAC Name: 4,5-diamino-2-bromo-1,8-dihydroxy-7-phenoxyanthracene-9,10-dione Traditional Name: 4,5-diamino-2-bromo-1,8-dihydroxy-7-phenoxy-9,10-anthraquinone Formula: C20H13BrN2O5 MolecularWeight: 441.23162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)N)C(=O)C4=C(C3=O)C(=C(C=C4N)Br)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)N)C(=O)C4=C(C3=O)C(=C(C=C4N)Br)O)O

InChI

InChI=1S/C20H13BrN2O5/c21-9-6-10(22)13-15(17(9)24)20(27)16-14(19(13)26)11(23)7-12(18(16)25)28-8-4-2-1-3-5-8/h1-7,24-25H,22-23H2