5-oxidanylnaphthalene-1,4-dione ethanoate

Systemtic Name: 5-oxidanylnaphthalene-1,4-dione ethanoate Openeye Name: 5-hydroxynaphthalene-1,4-dione acetate CAS Name: 5-hydroxynaphthalene-1,4-dione acetate IUPAC Name: 5-hydroxynaphthalene-1,4-dione acetate Traditional Name: juglone acetate Formula: C12H9O5- MolecularWeight: 233.19686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C(=O)C=CC2=O)C(=C1)O

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C(=O)C=CC2=O)C(=C1)O

InChI

InChI=1S/C10H6O3.C2H4O2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;1-2(3)4/h1-5,12H;1H3,(H,3,4)/p-1