10-butyl-3,7-dioctyl-phenothiazine; nickel(2+)

Systemtic Name: 10-butyl-3,7-dioctyl-phenothiazine; nickel(2+) Openeye Name: nickelous 10-butyl-3,7-dioctyl-phenothiazine CAS Name: 10-butyl-3,7-dioctylphenothiazine; nickel(2+) IUPAC Name: 10-butyl-3,7-dioctylphenothiazine; nickel(2+) Traditional Name: nickelous 10-butyl-3,7-dioctyl-phenothiazine Formula: C32H49NNiS+2 MolecularWeight: 538.49656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)CCCC.[Ni+2]

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)CCCCCCCC)CCCC.[Ni+2]

InChI

InChI=1S/C32H49NS.Ni/c1-4-7-10-12-14-16-18-27-20-22-29-31(25-27)34-32-26-28(19-17-15-13-11-8-5-2)21-23-30(32)33(29)24-9-6-3;/h20-23,25-26H,4-19,24H2,1-3H3;/q;+2