2-methylnaphthalene-1,4-dione; piperazine; sulfite

Systemtic Name: 2-methylnaphthalene-1,4-dione; piperazine; sulfite Openeye Name: 2-methylnaphthalene-1,4-dione; piperazine; sulfite CAS Name: 2-methylnaphthalene-1,4-dione; piperazine; sulfite IUPAC Name: 2-methylnaphthalene-1,4-dione; piperazine; sulfite Traditional Name: menadione; piperazine; sulfite Formula: C15H18N2O5S-2 MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CC=CC=C2C1=O.C1CNCCN1.[O-]S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)C2=CC=CC=C2C1=O.C1CNCCN1.[O-]S(=O)[O-]

InChI

InChI=1S/C11H8O2.C4H10N2.H2O3S/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;1-2-6-4-3-5-1;1-4(2)3/h2-6H,1H3;5-6H,1-4H2;(H2,1,2,3)/p-2