6-(hydroxymethyl)-5,8-dimethoxy-4-oxidanyl-3-(2-oxidanylidenepropyl)naphthalene-1,2-dione

Systemtic Name: 6-(hydroxymethyl)-5,8-dimethoxy-4-oxidanyl-3-(2-oxidanylidenepropyl)naphthalene-1,2-dione Openeye Name: 3-acetonyl-4-hydroxy-6-(hydroxymethyl)-5,8-dimethoxy-naphthalene-1,2-dione CAS Name: 4-hydroxy-6-(hydroxymethyl)-5,8-dimethoxy-3-(2-oxopropyl)naphthalene-1,2-dione IUPAC Name: 4-hydroxy-6-(hydroxymethyl)-5,8-dimethoxy-3-(2-oxopropyl)naphthalene-1,2-dione Traditional Name: 3-acetonyl-4-hydroxy-5,8-dimethoxy-6-methylol-1,2-naphthoquinone Formula: C16H16O7 MolecularWeight: 320.29404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C2=C(C(=CC(=C2C(=O)C1=O)OC)CO)OC)O

Isomeric SMILES

CC(=O)CC1=C(C2=C(C(=CC(=C2C(=O)C1=O)OC)CO)OC)O

InChI

InChI=1S/C16H16O7/c1-7(18)4-9-13(19)12-11(15(21)14(9)20)10(22-2)5-8(6-17)16(12)23-3/h5,17,19H,4,6H2,1-3H3