3-[2-(2-bromoethyl)-3-oxidanylidene-butyl]-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 3-[2-(2-bromoethyl)-3-oxidanylidene-butyl]-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 3-[2-(2-bromoethyl)-3-oxo-butyl]-1,8-dihydroxy-anthracene-9,10-dione CAS Name: 3-[2-(2-bromoethyl)-3-oxobutyl]-1,8-dihydroxyanthracene-9,10-dione IUPAC Name: 3-[2-(2-bromoethyl)-3-oxobutyl]-1,8-dihydroxyanthracene-9,10-dione Traditional Name: 3-[2-(2-bromoethyl)-3-keto-butyl]-1,8-dihydroxy-9,10-anthraquinone Formula: C20H17BrO5 MolecularWeight: 417.24998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCBr)CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

Isomeric SMILES

CC(=O)C(CCBr)CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

InChI

InChI=1S/C20H17BrO5/c1-10(22)12(5-6-21)7-11-8-14-18(16(24)9-11)20(26)17-13(19(14)25)3-2-4-15(17)23/h2-4,8-9,12,23-24H,5-7H2,1H3