2-butanoyl-3,4,10,11,12a-pentakis(oxidanyl)-4a,5-dihydro-4H-tetracene-1,12-dione

Systemtic Name: 2-butanoyl-3,4,10,11,12a-pentakis(oxidanyl)-4a,5-dihydro-4H-tetracene-1,12-dione Openeye Name: 2-butanoyl-3,4,10,11,12a-pentahydroxy-4a,5-dihydro-4H-tetracene-1,12-dione CAS Name: 3,4,10,11,12a-pentahydroxy-2-(1-oxobutyl)-4a,5-dihydro-4H-tetracene-1,12-dione IUPAC Name: 2-butanoyl-3,4,10,11,12a-pentahydroxy-4a,5-dihydro-4H-tetracene-1,12-dione Traditional Name: 2-butyryl-3,4,10,11,12a-pentahydroxy-4a,5-dihydro-4H-tetracene-1,12-quinone Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C2CC3=C(C(=C4C(=C3)C=CC=C4O)O)C(=O)C2(C1=O)O)O)O

Isomeric SMILES

CCCC(=O)C1=C(C(C2CC3=C(C(=C4C(=C3)C=CC=C4O)O)C(=O)C2(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/h3,5-7,11,17,24-27,30H,2,4,8H2,1H3