2-(hydroxymethyl)-5,6,8-tris(oxidanyl)-7-(2-oxidanylidenepropyl)naphthalene-1,4-dione

Systemtic Name: 2-(hydroxymethyl)-5,6,8-tris(oxidanyl)-7-(2-oxidanylidenepropyl)naphthalene-1,4-dione Openeye Name: 7-acetonyl-5,6,8-trihydroxy-2-(hydroxymethyl)naphthalene-1,4-dione CAS Name: 5,6,8-trihydroxy-2-(hydroxymethyl)-7-(2-oxopropyl)naphthalene-1,4-dione IUPAC Name: 5,6,8-trihydroxy-2-(hydroxymethyl)-7-(2-oxopropyl)naphthalene-1,4-dione Traditional Name: 7-acetonyl-5,6,8-trihydroxy-2-methylol-1,4-naphthoquinone Formula: C14H12O7 MolecularWeight: 292.24088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(C2=C(C(=O)C=C(C2=O)CO)C(=C1O)O)O

Isomeric SMILES

CC(=O)CC1=C(C2=C(C(=O)C=C(C2=O)CO)C(=C1O)O)O

InChI

InChI=1S/C14H12O7/c1-5(16)2-7-12(19)10-9(14(21)13(7)20)8(17)3-6(4-15)11(10)18/h3,15,19-21H,2,4H2,1H3