6-hexyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate; nickel(2+)

Systemtic Name: 6-hexyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate; nickel(2+) Openeye Name: nickelous 6-hexyl-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-hexyl-6-hydroxy-1-cyclohexa-2,4-dienecarboxylate; nickel(2+) IUPAC Name: 6-hexyl-6-hydroxycyclohexa-2,4-diene-1-carboxylate; nickel(2+) Traditional Name: nickelous 6-hexyl-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate Formula: C26H38NiO6 MolecularWeight: 505.26972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C=CC=CC1C(=O)[O-])O.CCCCCCC1(C=CC=CC1C(=O)[O-])O.[Ni+2]

Isomeric SMILES

CCCCCCC1(C=CC=CC1C(=O)[O-])O.CCCCCCC1(C=CC=CC1C(=O)[O-])O.[Ni+2]

InChI

InChI=1S/2C13H20O3.Ni/c2*1-2-3-4-6-9-13(16)10-7-5-8-11(13)12(14)15;/h2*5,7-8,10-11,16H,2-4,6,9H2,1H3,(H,14,15);/q;;+2/p-2