4-methylbenzoate; nickel(2+)

Systemtic Name: 4-methylbenzoate; nickel(2+) Openeye Name: nickelous 4-methylbenzoate CAS Name: 4-methylbenzoate; nickel(2+) IUPAC Name: 4-methylbenzoate; nickel(2+) Traditional Name: nickelous 4-methylbenzoate Formula: C16H14NiO4 MolecularWeight: 328.97336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[O-].CC1=CC=C(C=C1)C(=O)[O-].[Ni+2]

InChI

InChI=1S/2C8H8O2.Ni/c2*1-6-2-4-7(5-3-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2