[4-butanoyloxy-2,5-bis(oxidanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] butanoate

Systemtic Name: [4-butanoyloxy-2,5-bis(oxidanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] butanoate Openeye Name: (4-butanoyloxy-2,5-dihydroxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl) butanoate CAS Name: butanoic acid [2,5-dihydroxy-3,6-dioxo-4-(1-oxobutoxy)-1-cyclohexa-1,4-dienyl] ester IUPAC Name: (4-butanoyloxy-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl) butanoate Traditional Name: butyric acid (4-butyryloxy-2,5-dihydroxy-3,6-diketo-cyclohexa-1,4-dien-1-yl) ester Formula: C14H16O8 MolecularWeight: 312.27204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=O)C(=C(C1=O)O)OC(=O)CCC)O

Isomeric SMILES

CCCC(=O)OC1=C(C(=O)C(=C(C1=O)O)OC(=O)CCC)O

InChI

InChI=1S/C14H16O8/c1-3-5-7(15)21-13-9(17)11(19)14(12(20)10(13)18)22-8(16)6-4-2/h17,20H,3-6H2,1-2H3