6,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-2-(1-oxidanyl-5-oxidanylidene-hexan-2-yl)anthracene-1,3-diolate

Systemtic Name: 6,8-bis(oxidanyl)-9,10-bis(oxidanylidene)-2-(1-oxidanyl-5-oxidanylidene-hexan-2-yl)anthracene-1,3-diolate Openeye Name: 6,8-dihydroxy-2-[1-(hydroxymethyl)-4-oxo-pentyl]-9,10-dioxo-anthracene-1,3-diolate CAS Name: 6,8-dihydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-dioxoanthracene-1,3-diolate IUPAC Name: 6,8-dihydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-dioxoanthracene-1,3-diolate Traditional Name: 6,8-dihydroxy-9,10-diketo-2-(4-keto-1-methylol-pentyl)anthracene-1,3-diolate Formula: C20H16O8-2 MolecularWeight: 384.33624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CO)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C=C(C=C3C2=O)O)O)[O-]

Isomeric SMILES

CC(=O)CCC(CO)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C=C(C=C3C2=O)O)O)[O-]

InChI

InChI=1S/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-2