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

Systemtic Name: 5,8-dimethoxy-3-methyl-1-oxidanyl-2-(3-oxidanylidenebutanoyl)anthracene-9,10-dione Openeye Name: 1-hydroxy-5,8-dimethoxy-3-methyl-2-(3-oxobutanoyl)anthracene-9,10-dione CAS Name: 2-(1,3-dioxobutyl)-1-hydroxy-5,8-dimethoxy-3-methylanthracene-9,10-dione IUPAC Name: 1-hydroxy-5,8-dimethoxy-3-methyl-2-(3-oxobutanoyl)anthracene-9,10-dione Traditional Name: 2-acetoacetyl-1-hydroxy-5,8-dimethoxy-3-methyl-9,10-anthraquinone Formula: C21H18O7 MolecularWeight: 382.36342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O7/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/h5-7,25H,8H2,1-4H3