2,9-dimethyl-1,10-phenanthroline-1,10-diide; methyl hydrogen sulfate; zinc

Systemtic Name: 2,9-dimethyl-1,10-phenanthroline-1,10-diide; methyl hydrogen sulfate; zinc Openeye Name: 2,9-dimethyl-1,10-phenanthroline-1,10-diide; methyl hydrogen sulfate; zinc CAS Name: 2,9-dimethyl-1,10-phenanthroline-1,10-diide; sulfuric acid methyl ester; zinc IUPAC Name: 2,9-dimethyl-1,10-phenanthroline-1,10-diide; methyl hydrogen sulfate; zinc Traditional Name: 2,9-dimethyl-1,10-phenanthroline-1,10-diide; sulfuric acid methyl ester; zinc Formula: C29H28N4O4SZn-4 MolecularWeight: 594.03102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C=CC3=CC=C([N-]C3=C2[N-]1)C.CC1=CC=C2C=CC3=CC=C([N-]C3=C2[N-]1)C.COS(=O)(=O)O.[Zn]

Isomeric SMILES

CC1=CC=C2C=CC3=CC=C([N-]C3=C2[N-]1)C.CC1=CC=C2C=CC3=CC=C([N-]C3=C2[N-]1)C.COS(=O)(=O)O.[Zn]

InChI

InChI=1S/2C14H12N2.CH4O4S.Zn/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-5-6(2,3)4;/h2*3-8H,1-2H3;1H3,(H,2,3,4);/q2*-2;;