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10-butyl-3,7-bis(2-methylheptan-2-yl)phenothiazine; nickel(2+)

10-butyl-3,7-bis(2-methylheptan-2-yl)phenothiazine; nickel(2+)

Systemtic Name:10-butyl-3,7-bis(2-methylheptan-2-yl)phenothiazine; nickel(2+)
Openeye Name:nickelous 10-butyl-3,7-bis(1,1-dimethylhexyl)phenothiazine
CAS Name:10-butyl-3,7-bis(2-methylheptan-2-yl)phenothiazine; nickel(2+)
IUPAC Name:10-butyl-3,7-bis(2-methylheptan-2-yl)phenothiazine; nickel(2+)
Traditional Name:nickelous 10-butyl-3,7-bis(1,1-dimethylhexyl)phenothiazine
Formula: C32H49NNiS+2
MolecularWeight: 538.49656
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C32H49NS.Ni/c1-8-11-14-20-31(4,5)25-16-18-27-29(23-25)34-30-24-26(32(6,7)21-15-12-9-2)17-19-28(30)33(27)22-13-10-3;/h16-19,23-24H,8-15,20-22H2,1-7H3;/q;+2


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