nickel(2+); 3-nonyl-2-oxidanyl-5-phenyl-benzoate

Systemtic Name: nickel(2+); 3-nonyl-2-oxidanyl-5-phenyl-benzoate Openeye Name: nickelous 2-hydroxy-3-nonyl-5-phenyl-benzoate CAS Name: 2-hydroxy-3-nonyl-5-phenylbenzoate; nickel(2+) IUPAC Name: 2-hydroxy-3-nonyl-5-phenylbenzoate; nickel(2+) Traditional Name: nickelous 2-hydroxy-3-nonyl-5-phenyl-benzoate Formula: C44H54NiO6 MolecularWeight: 737.58936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC(=C1O)C(=O)[O-])C2=CC=CC=C2.CCCCCCCCCC1=CC(=CC(=C1O)C(=O)[O-])C2=CC=CC=C2.[Ni+2]

Isomeric SMILES

CCCCCCCCCC1=CC(=CC(=C1O)C(=O)[O-])C2=CC=CC=C2.CCCCCCCCCC1=CC(=CC(=C1O)C(=O)[O-])C2=CC=CC=C2.[Ni+2]

InChI

InChI=1S/2C22H28O3.Ni/c2*1-2-3-4-5-6-7-9-14-18-15-19(17-12-10-8-11-13-17)16-20(21(18)23)22(24)25;/h2*8,10-13,15-16,23H,2-7,9,14H2,1H3,(H,24,25);/q;;+2/p-2