4,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfite

Systemtic Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfite Openeye Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfite CAS Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfite IUPAC Name: 4,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfite Traditional Name: 4,6-dimethyl-1H-pyrimidin-2-one; menadione; sulfite Formula: C17H16N2O6S-2 MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.CC1=CC(=NC(=O)N1)C.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.CC1=CC(=NC(=O)N1)C.[O-]S(=O)[O-]

InChI

InChI=1S/C11H8O2.C6H8N2O.H2O3S/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-4-3-5(2)8-6(9)7-4;1-4(2)3/h2-6H,1H3;3H,1-2H3,(H,7,8,9);(H2,1,2,3)/p-2