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

Systemtic Name: 3-(hydroxymethyl)-2-methyl-5-oxidanyl-naphthalene-1,4-dione Openeye Name: 5-hydroxy-3-(hydroxymethyl)-2-methyl-naphthalene-1,4-dione CAS Name: 5-hydroxy-3-(hydroxymethyl)-2-methylnaphthalene-1,4-dione IUPAC Name: 5-hydroxy-3-(hydroxymethyl)-2-methylnaphthalene-1,4-dione Traditional Name: 5-hydroxy-2-methyl-3-methylol-1,4-naphthoquinone Formula: C12H10O4 MolecularWeight: 218.2054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)CO

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)CO

InChI

InChI=1S/C12H10O4/c1-6-8(5-13)12(16)10-7(11(6)15)3-2-4-9(10)14/h2-4,13-14H,5H2,1H3