5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfurous acid

Systemtic Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfurous acid Openeye Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfurous acid CAS Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfurous acid IUPAC Name: 5,6-dimethyl-1H-pyrimidin-2-one; 2-methylnaphthalene-1,4-dione; sulfurous acid Traditional Name: 5,6-dimethyl-1H-pyrimidin-2-one; menadione; sulfurous acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.CC1=C(NC(=O)N=C1)C.OS(=O)O

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.CC1=C(NC(=O)N=C1)C.OS(=O)O

InChI

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