4-butoxy-3-(2-hydroxyethyloxy)butanoate; 3-(2-hydroxyethyloxy)-4-oxidanyl-butanoate; nickel(2+)

Systemtic Name: 4-butoxy-3-(2-hydroxyethyloxy)butanoate; 3-(2-hydroxyethyloxy)-4-oxidanyl-butanoate; nickel(2+) Openeye Name: nickelous; 4-butoxy-3-(2-hydroxyethoxy)butanoate; 4-hydroxy-3-(2-hydroxyethoxy)butanoate CAS Name: 4-butoxy-3-(2-hydroxyethoxy)butanoate; 4-hydroxy-3-(2-hydroxyethoxy)butanoate; nickel(2+) IUPAC Name: 4-butoxy-3-(2-hydroxyethoxy)butanoate; 4-hydroxy-3-(2-hydroxyethoxy)butanoate; nickel(2+) Traditional Name: nickelous; 4-butoxy-3-(2-hydroxyethoxy)butyrate; 4-hydroxy-3-(2-hydroxyethoxy)butyrate Formula: C16H30NiO10 MolecularWeight: 441.0968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CC(=O)[O-])OCCO.C(COC(CC(=O)[O-])CO)O.[Ni+2]

Isomeric SMILES

CCCCOCC(CC(=O)[O-])OCCO.C(COC(CC(=O)[O-])CO)O.[Ni+2]

InChI

InChI=1S/C10H20O5.C6H12O5.Ni/c1-2-3-5-14-8-9(7-10(12)13)15-6-4-11;7-1-2-11-5(4-8)3-6(9)10;/h9,11H,2-8H2,1H3,(H,12,13);5,7-8H,1-4H2,(H,9,10);/q;;+2/p-2