3-butanoyl-1,4,4a,6,7-pentakis(oxidanyl)-12,12a-dihydro-1H-tetracene-2,5-dione

Systemtic Name: 3-butanoyl-1,4,4a,6,7-pentakis(oxidanyl)-12,12a-dihydro-1H-tetracene-2,5-dione Openeye Name: 3-butanoyl-1,4,4a,6,7-pentahydroxy-12,12a-dihydro-1H-tetracene-2,5-dione CAS Name: 1,4,4a,6,7-pentahydroxy-3-(1-oxobutyl)-12,12a-dihydro-1H-tetracene-2,5-dione IUPAC Name: 3-butanoyl-1,4,4a,6,7-pentahydroxy-12,12a-dihydro-1H-tetracene-2,5-dione Traditional Name: 3-butyryl-1,4,4a,6,7-pentahydroxy-12,12a-dihydro-1H-tetracene-2,5-quinone Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2(C(CC3=C(C2=O)C(=C4C(=C3)C=CC=C4O)O)C(C1=O)O)O)O

Isomeric SMILES

CCCC(=O)C1=C(C2(C(CC3=C(C2=O)C(=C4C(=C3)C=CC=C4O)O)C(C1=O)O)O)O

InChI

InChI=1S/C22H20O8/c1-2-4-12(23)16-19(27)17(25)11-8-10-7-9-5-3-6-13(24)14(9)18(26)15(10)20(28)22(11,30)21(16)29/h3,5-7,11,17,24-26,29-30H,2,4,8H2,1H3