4,8-bis(azanyl)-2-(3-bromanyl-4-oxidanyl-phenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 4,8-bis(azanyl)-2-(3-bromanyl-4-oxidanyl-phenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4,8-diamino-2-(3-bromo-4-hydroxy-phenyl)-1,5-dihydroxy-anthracene-9,10-dione CAS Name: 4,8-diamino-2-(3-bromo-4-hydroxyphenyl)-1,5-dihydroxyanthracene-9,10-dione IUPAC Name: 4,8-diamino-2-(3-bromo-4-hydroxyphenyl)-1,5-dihydroxyanthracene-9,10-dione Traditional Name: 4,8-diamino-2-(3-bromo-4-hydroxy-phenyl)-1,5-dihydroxy-9,10-anthraquinone Formula: C20H13BrN2O5 MolecularWeight: 441.23162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N)Br)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N)Br)O

InChI

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