3-ethanoyl-2-(hydroxymethyl)-5-oxidanyl-naphthalene-1,4-dione

Systemtic Name: 3-ethanoyl-2-(hydroxymethyl)-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 3-acetyl-5-hydroxy-2-(hydroxymethyl)naphthalene-1,4-dione CAS Name: 3-acetyl-5-hydroxy-2-(hydroxymethyl)naphthalene-1,4-dione IUPAC Name: 3-acetyl-5-hydroxy-2-(hydroxymethyl)naphthalene-1,4-dione Traditional Name: 3-acetyl-5-hydroxy-2-methylol-1,4-naphthoquinone Formula: C13H10O5 MolecularWeight: 246.2155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O5/c1-6(15)10-8(5-14)12(17)7-3-2-4-9(16)11(7)13(10)18/h2-4,14,16H,5H2,1H3