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

Systemtic Name: 1,8-bis(azanyl)-2-bromanyl-7-butoxy-4,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,8-diamino-2-bromo-7-butoxy-4,5-dihydroxy-anthracene-9,10-dione CAS Name: 1,8-diamino-2-bromo-7-butoxy-4,5-dihydroxyanthracene-9,10-dione IUPAC Name: 1,8-diamino-2-bromo-7-butoxy-4,5-dihydroxyanthracene-9,10-dione Traditional Name: 1,8-diamino-2-bromo-7-butoxy-4,5-dihydroxy-9,10-anthraquinone Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)N)N

Isomeric SMILES

CCCCOC1=C(C2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)N)N

InChI

InChI=1S/C18H17BrN2O5/c1-2-3-4-26-10-6-9(23)12-14(16(10)21)18(25)13-11(17(12)24)8(22)5-7(19)15(13)20/h5-6,22-23H,2-4,20-21H2,1H3