chloranylnickel; 2-(phenylcarbonylazanidyl)benzenethiolate; tetraethylazanium

Systemtic Name: chloranylnickel; 2-(phenylcarbonylazanidyl)benzenethiolate; tetraethylazanium Openeye Name: 2-benzoylazanidylbenzenethiolate; chloronickel; tetraethylammonium CAS Name: 2-benzoylazanidylbenzenethiolate; chloronickel; tetraethylammonium IUPAC Name: 2-benzoylazanidylbenzenethiolate; chloronickel; tetraethylazanium Traditional Name: 2-benzoylazanidylbenzenethiolate; chloronickel; tetraethylammonium Formula: C42H58Cl2N4Ni2O2S2-2 MolecularWeight: 903.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.C1=CC=C(C=C1)C(=O)[N-]C2=CC=CC=C2[S-].C1=CC=C(C=C1)C(=O)[N-]C2=CC=CC=C2[S-].Cl[Ni].Cl[Ni]

Isomeric SMILES

CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.C1=CC=C(C=C1)C(=O)[N-]C2=CC=CC=C2[S-].C1=CC=C(C=C1)C(=O)[N-]C2=CC=CC=C2[S-].Cl[Ni].Cl[Ni]

InChI

InChI=1S/2C13H11NOS.2C8H20N.2ClH.2Ni/c2*15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16;2*1-5-9(6-2,7-3)8-4;;;;/h2*1-9H,(H2,14,15,16);2*5-8H2,1-4H3;2*1H;;/q;;2*+1;;;2*+1/p-6