3-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-6-ethanoyl-5-oxidanylidene-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-6-ethanoyl-5-oxidanylidene-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-acetyl-3-(5,5-dioxodibenzothiophen-2-yl)-5-oxo-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-acetyl-3-(5,5-dioxo-2-dibenzothiophenyl)-5-oxo-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-acetyl-3-(5,5-dioxodibenzothiophen-2-yl)-5-oxocyclohex-3-ene-1-carboxylic acid Traditional Name: 6-acetyl-3-(5,5-diketodibenzothiophen-2-yl)-5-keto-cyclohex-3-ene-1-carboxylic acid Formula: C21H16O6S MolecularWeight: 396.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC(=CC1=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(=O)C1C(CC(=CC1=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H16O6S/c1-11(22)20-16(21(24)25)9-13(10-17(20)23)12-6-7-19-15(8-12)14-4-2-3-5-18(14)28(19,26)27/h2-8,10,16,20H,9H2,1H3,(H,24,25)