bis(2-cyanoethyl)-phenoxazin-3-ylidene-azanium; tetrakis(chloranyl)zinc(2-)

Systemtic Name: bis(2-cyanoethyl)-phenoxazin-3-ylidene-azanium; tetrakis(chloranyl)zinc(2-) Openeye Name: bis(2-cyanoethyl)-phenoxazin-3-ylidene-ammonium; tetrachlorozinc(2-) CAS Name: bis(2-cyanoethyl)-(3-phenoxazinylidene)ammonium; tetrachlorozinc(2-) IUPAC Name: bis(2-cyanoethyl)-phenoxazin-3-ylideneazanium; tetrachlorozinc(2-) Traditional Name: bis(2-cyanoethyl)-phenoxazin-3-ylidene-ammonium; tetrachlorozinc(2-) Formula: C36H30Cl4N8O2Zn MolecularWeight: 813.8968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.C1=CC=C2C(=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.Cl[Zn-2](Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.C1=CC=C2C(=C1)N=C3C=CC(=[N+](CCC#N)CCC#N)C=C3O2.Cl[Zn-2](Cl)(Cl)Cl

InChI

InChI=1S/2C18H15N4O.4ClH.Zn/c2*19-9-3-11-22(12-4-10-20)14-7-8-16-18(13-14)23-17-6-2-1-5-15(17)21-16;;;;;/h2*1-2,5-8,13H,3-4,11-12H2;4*1H;/q2*+1;;;;;+2/p-4