8-bromanyl-1-(2,4-dimethoxy-6-oxidanyl-phenyl)-2-(hydroxymethyl)-4,5-di(propan-2-yloxy)anthracene-9,10-dione

Systemtic Name: 8-bromanyl-1-(2,4-dimethoxy-6-oxidanyl-phenyl)-2-(hydroxymethyl)-4,5-di(propan-2-yloxy)anthracene-9,10-dione Openeye Name: 8-bromo-1-(2-hydroxy-4,6-dimethoxy-phenyl)-2-(hydroxymethyl)-4,5-diisopropoxy-anthracene-9,10-dione CAS Name: 8-bromo-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(hydroxymethyl)-4,5-di(propan-2-yloxy)anthracene-9,10-dione IUPAC Name: 8-bromo-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(hydroxymethyl)-4,5-di(propan-2-yloxy)anthracene-9,10-dione Traditional Name: 8-bromo-1-(2-hydroxy-4,6-dimethoxy-phenyl)-4,5-diisopropoxy-2-methylol-9,10-anthraquinone Formula: C29H29BrO8 MolecularWeight: 585.43976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=C(C=C1)Br)C(=O)C3=C(C(=CC(=C3C2=O)OC(C)C)CO)C4=C(C=C(C=C4OC)OC)O

Isomeric SMILES

CC(C)OC1=C2C(=C(C=C1)Br)C(=O)C3=C(C(=CC(=C3C2=O)OC(C)C)CO)C4=C(C=C(C=C4OC)OC)O

InChI

InChI=1S/C29H29BrO8/c1-13(2)37-19-8-7-17(30)23-25(19)29(34)26-21(38-14(3)4)9-15(12-31)22(27(26)28(23)33)24-18(32)10-16(35-5)11-20(24)36-6/h7-11,13-14,31-32H,12H2,1-6H3