4-bromanyl-1,5-bis[(2,2-dimethyl-3-oxidanyl-propyl)amino]anthracene-9,10-dione

Systemtic Name: 4-bromanyl-1,5-bis[(2,2-dimethyl-3-oxidanyl-propyl)amino]anthracene-9,10-dione Openeye Name: 4-bromo-1,5-bis[(3-hydroxy-2,2-dimethyl-propyl)amino]anthracene-9,10-dione CAS Name: 4-bromo-1,5-bis[(3-hydroxy-2,2-dimethylpropyl)amino]anthracene-9,10-dione IUPAC Name: 4-bromo-1,5-bis[(3-hydroxy-2,2-dimethylpropyl)amino]anthracene-9,10-dione Traditional Name: 4-bromo-1,5-bis[(3-hydroxy-2,2-dimethyl-propyl)amino]-9,10-anthraquinone Formula: C24H29BrN2O4 MolecularWeight: 489.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC=C3NCC(C)(C)CO)CO

Isomeric SMILES

CC(C)(CNC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC=C3NCC(C)(C)CO)CO

InChI

InChI=1S/C24H29BrN2O4/c1-23(2,12-28)10-26-16-7-5-6-14-18(16)22(31)19-15(25)8-9-17(20(19)21(14)30)27-11-24(3,4)13-29/h5-9,26-29H,10-13H2,1-4H3