5,8-dimethoxy-3-methyl-1-oxidanyl-2-(1-oxidanyl-3-oxidanylidene-butyl)anthracene-9,10-dione

Systemtic Name: 5,8-dimethoxy-3-methyl-1-oxidanyl-2-(1-oxidanyl-3-oxidanylidene-butyl)anthracene-9,10-dione Openeye Name: 1-hydroxy-2-(1-hydroxy-3-oxo-butyl)-5,8-dimethoxy-3-methyl-anthracene-9,10-dione CAS Name: 1-hydroxy-2-(1-hydroxy-3-oxobutyl)-5,8-dimethoxy-3-methylanthracene-9,10-dione IUPAC Name: 1-hydroxy-2-(1-hydroxy-3-oxobutyl)-5,8-dimethoxy-3-methylanthracene-9,10-dione Traditional Name: 1-hydroxy-2-(1-hydroxy-3-keto-butyl)-5,8-dimethoxy-3-methyl-9,10-anthraquinone Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)OC)OC)O)C(CC(=O)C)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)OC)OC)O)C(CC(=O)C)O

InChI

InChI=1S/C21H20O7/c1-9-7-11-16(20(25)15(9)12(23)8-10(2)22)21(26)18-14(28-4)6-5-13(27-3)17(18)19(11)24/h5-7,12,23,25H,8H2,1-4H3