2-[1,3-benzodioxol-4-yl(oxidanyl)methyl]naphthalene-1,4-dione

Systemtic Name: 2-[1,3-benzodioxol-4-yl(oxidanyl)methyl]naphthalene-1,4-dione Openeye Name: 2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione CAS Name: 2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione IUPAC Name: 2-[1,3-benzodioxol-4-yl(hydroxy)methyl]naphthalene-1,4-dione Traditional Name: 2-[1,3-benzodioxol-4-yl(hydroxy)methyl]-1,4-naphthoquinone Formula: C18H12O5 MolecularWeight: 308.28488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C(C3=CC(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C(C3=CC(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C18H12O5/c19-14-8-13(16(20)11-5-2-1-4-10(11)14)17(21)12-6-3-7-15-18(12)23-9-22-15/h1-8,17,21H,9H2