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

Systemtic Name: 2-hexanoyl-3,6-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,8-diolate Openeye Name: 2-hexanoyl-3,6-dihydroxy-9,10-dioxo-anthracene-1,8-diolate CAS Name: 3,6-dihydroxy-9,10-dioxo-2-(1-oxohexyl)anthracene-1,8-diolate IUPAC Name: 2-hexanoyl-3,6-dihydroxy-9,10-dioxoanthracene-1,8-diolate Traditional Name: 2-caproyl-3,6-dihydroxy-9,10-diketo-anthracene-1,8-diolate Formula: C20H16O7-2 MolecularWeight: 368.33684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C=C(C=C3C2=O)O)[O-])O

Isomeric SMILES

CCCCCC(=O)C1=C(C=C2C(=C1[O-])C(=O)C3=C(C=C(C=C3C2=O)O)[O-])O

InChI

InChI=1S/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3/p-2