2-methylnaphthalene-1,4-dione; pyridine-3-carboxylic acid; sulfite

Systemtic Name: 2-methylnaphthalene-1,4-dione; pyridine-3-carboxylic acid; sulfite Openeye Name: 2-methylnaphthalene-1,4-dione; nicotinic acid; sulfite CAS Name: 2-methylnaphthalene-1,4-dione; 3-pyridinecarboxylic acid; sulfite IUPAC Name: 2-methylnaphthalene-1,4-dione; pyridine-3-carboxylic acid; sulfite Traditional Name: menadione; nicotinic acid; sulfite Formula: C17H13NO7S-2 MolecularWeight: 375.35262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=CC(=CN=C1)C(=O)O.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.C1=CC(=CN=C1)C(=O)O.[O-]S(=O)[O-]

InChI

InChI=1S/C11H8O2.C6H5NO2.H2O3S/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;8-6(9)5-2-1-3-7-4-5;1-4(2)3/h2-6H,1H3;1-4H,(H,8,9);(H2,1,2,3)/p-2