nickel; (E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-(2-sulfanylphenyl)azanidyl-methanolate; tetraethylazanium

Systemtic Name: nickel; (E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-(2-sulfanylphenyl)azanidyl-methanolate; tetraethylazanium Openeye Name: nickel; (E)-(6-oxocyclohexa-2,4-dien-1-ylidene)-(2-sulfanylphenyl)azanidyl-methanolate; tetraethylammonium CAS Name: (E)-(2-mercaptophenyl)azanidyl-(6-oxo-1-cyclohexa-2,4-dienylidene)methanolate; nickel; tetraethylammonium IUPAC Name: nickel; (E)-(6-oxocyclohexa-2,4-dien-1-ylidene)-(2-sulfanylphenyl)azanidylmethanolate; tetraethylazanium Traditional Name: (E)-(6-ketocyclohexa-2,4-dien-1-ylidene)-(2-mercaptophenyl)azanidyl-methanolate; nickel; tetraethylammonium Formula: C42H58N4Ni2O4S2-2 MolecularWeight: 864.45112

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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)[N-]C(=C2C=CC=CC2=O)[O-])S.C1=CC=C(C(=C1)[N-]C(=C2C=CC=CC2=O)[O-])S.[Ni].[Ni]

Isomeric SMILES

CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.C1=CC=C(C(=C1)[N-]/C(=C/2\C(=O)C=CC=C2)/[O-])S.C1=CC=C(C(=C1)[N-]/C(=C/2\C(=O)C=CC=C2)/[O-])S.[Ni].[Ni]

InChI

InChI=1S/2C13H11NO2S.2C8H20N.2Ni/c2*15-11-7-3-1-5-9(11)13(16)14-10-6-2-4-8-12(10)17;2*1-5-9(6-2,7-3)8-4;;/h2*1-8H,(H3,14,15,16,17);2*5-8H2,1-4H3;;/q;;2*+1;;/p-4