nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; sulfate

Systemtic Name: nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; sulfate Openeye Name: nickelous 3,4,7,8-tetramethyl-1,10-phenanthroline sulfate CAS Name: nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; sulfate IUPAC Name: nickel(2+); 3,4,7,8-tetramethyl-1,10-phenanthroline; sulfate Traditional Name: nickelous 3,4,7,8-tetramethyl-1,10-phenanthroline sulfate Formula: C48H48N6NiO4S MolecularWeight: 863.69092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.[O-]S(=O)(=O)[O-].[Ni+2]

Isomeric SMILES

CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C.[O-]S(=O)(=O)[O-].[Ni+2]

InChI

InChI=1S/3C16H16N2.Ni.H2O4S/c3*1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;;1-5(2,3)4/h3*5-8H,1-4H3;;(H2,1,2,3,4)/q;;;+2;/p-2