2-(4-tert-butylphenyl)ethanethioate; nickel(2+)

Systemtic Name: 2-(4-tert-butylphenyl)ethanethioate; nickel(2+) Openeye Name: nickelous 2-(4-tert-butylphenyl)ethanethioate CAS Name: 2-(4-tert-butylphenyl)ethanethioate; nickel(2+) IUPAC Name: 2-(4-tert-butylphenyl)ethanethioate; nickel(2+) Traditional Name: nickelous 2-(4-tert-butylphenyl)thioacetate Formula: C24H30NiO2S2 MolecularWeight: 473.3172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(=S)[O-].CC(C)(C)C1=CC=C(C=C1)CC(=S)[O-].[Ni+2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(=S)[O-].CC(C)(C)C1=CC=C(C=C1)CC(=S)[O-].[Ni+2]

InChI

InChI=1S/2C12H16OS.Ni/c2*1-12(2,3)10-6-4-9(5-7-10)8-11(13)14;/h2*4-7H,8H2,1-3H3,(H,13,14);/q;;+2/p-2