3-butanoyl-2-methyl-1,8-bis(oxidanyl)phenanthrene-9,10-dione

Systemtic Name: 3-butanoyl-2-methyl-1,8-bis(oxidanyl)phenanthrene-9,10-dione Openeye Name: 3-butanoyl-1,8-dihydroxy-2-methyl-phenanthrene-9,10-dione CAS Name: 1,8-dihydroxy-2-methyl-3-(1-oxobutyl)phenanthrene-9,10-dione IUPAC Name: 3-butanoyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione Traditional Name: 3-butyryl-1,8-dihydroxy-2-methyl-phenanthrene-9,10-quinone Formula: C19H16O5 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C2C(=C1)C3=C(C(=CC=C3)O)C(=O)C2=O)O)C

Isomeric SMILES

CCCC(=O)C1=C(C(=C2C(=C1)C3=C(C(=CC=C3)O)C(=O)C2=O)O)C

InChI

InChI=1S/C19H16O5/c1-3-5-13(20)11-8-12-10-6-4-7-14(21)15(10)18(23)19(24)16(12)17(22)9(11)2/h4,6-8,21-22H,3,5H2,1-2H3