3-(10-methylundecyl)-2-oxidanyl-benzoate; nickel(2+)

Systemtic Name: 3-(10-methylundecyl)-2-oxidanyl-benzoate; nickel(2+) Openeye Name: nickelous 2-hydroxy-3-(10-methylundecyl)benzoate CAS Name: 2-hydroxy-3-(10-methylundecyl)benzoate; nickel(2+) IUPAC Name: 2-hydroxy-3-(10-methylundecyl)benzoate; nickel(2+) Traditional Name: nickelous 2-hydroxy-3-(10-methylundecyl)benzoate Formula: C38H58NiO6 MolecularWeight: 669.55692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H30O3.Ni/c2*1-15(2)11-8-6-4-3-5-7-9-12-16-13-10-14-17(18(16)20)19(21)22;/h2*10,13-15,20H,3-9,11-12H2,1-2H3,(H,21,22);/q;;+2/p-2