3-[4-bromanyl-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 3-[4-bromanyl-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 3-[4-bromo-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,8-dihydroxy-anthracene-9,10-dione CAS Name: 3-[4-bromo-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,8-dihydroxyanthracene-9,10-dione IUPAC Name: 3-[4-bromo-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,8-dihydroxyanthracene-9,10-dione Traditional Name: 3-[4-bromo-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-1,8-dihydroxy-9,10-anthraquinone Formula: C22H21BrO6 MolecularWeight: 461.30254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)C(CCBr)CC2=CC(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC=C4)O)O

Isomeric SMILES

CC1(OCCO1)C(CCBr)CC2=CC(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC=C4)O)O

InChI

InChI=1S/C22H21BrO6/c1-22(28-7-8-29-22)13(5-6-23)9-12-10-15-19(17(25)11-12)21(27)18-14(20(15)26)3-2-4-16(18)24/h2-4,10-11,13,24-25H,5-9H2,1H3