2-(4-methyl-1-oxidanyl-3-oxidanylidene-pentyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-(4-methyl-1-oxidanyl-3-oxidanylidene-pentyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-oxo-pentyl)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-oxopentyl)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-oxopentyl)naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-(1-hydroxy-3-keto-4-methyl-pentyl)-1,4-naphthoquinone Formula: C16H16O6 MolecularWeight: 304.29464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O

Isomeric SMILES

CC(C)C(=O)CC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O

InChI

InChI=1S/C16H16O6/c1-7(2)11(19)6-12(20)8-5-13(21)14-9(17)3-4-10(18)15(14)16(8)22/h3-5,7,12,17-18,20H,6H2,1-2H3