4,7-dimethyl-1,10-phenanthroline; oxidanylidenevanadium(2+); sulfate

Systemtic Name: 4,7-dimethyl-1,10-phenanthroline; oxidanylidenevanadium(2+); sulfate Openeye Name: 4,7-dimethyl-1,10-phenanthroline; oxovanadium(2+); sulfate CAS Name: 4,7-dimethyl-1,10-phenanthroline; oxovanadium(2+); sulfate IUPAC Name: 4,7-dimethyl-1,10-phenanthroline; oxovanadium(2+); sulfate Traditional Name: 4,7-dimethyl-1,10-phenanthroline; ketovanadium(2+); sulfate Formula: C28H24N4O5SV MolecularWeight: 579.52046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C.CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C.[O-]S(=O)(=O)[O-].O=[V+2]

Isomeric SMILES

CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C.CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C.[O-]S(=O)(=O)[O-].O=[V+2]

InChI

InChI=1S/2C14H12N2.H2O4S.O.V/c2*1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-5(2,3)4;;/h2*3-8H,1-2H3;(H2,1,2,3,4);;/q;;;;+2/p-2