3-(2-methoxy-2-oxidanylidene-ethyl)-8-oxidanyl-9,10-bis(oxidanylidene)-2-(3-oxidanylidenebutanoyl)anthracen-1-olate

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-8-oxidanyl-9,10-bis(oxidanylidene)-2-(3-oxidanylidenebutanoyl)anthracen-1-olate Openeye Name: 8-hydroxy-3-(2-methoxy-2-oxo-ethyl)-9,10-dioxo-2-(3-oxobutanoyl)anthracen-1-olate CAS Name: 2-(1,3-dioxobutyl)-8-hydroxy-3-(2-methoxy-2-oxoethyl)-9,10-dioxo-1-anthracenolate IUPAC Name: 8-hydroxy-3-(2-methoxy-2-oxoethyl)-9,10-dioxo-2-(3-oxobutanoyl)anthracen-1-olate Traditional Name: 2-acetoacetyl-8-hydroxy-9,10-diketo-3-(2-keto-2-methoxy-ethyl)anthracen-1-olate Formula: C21H15O8- MolecularWeight: 395.339

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C2=O)C=CC=C3O)CC(=O)OC

Isomeric SMILES

CC(=O)CC(=O)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C2=O)C=CC=C3O)CC(=O)OC

InChI

InChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3/p-1