1-[6,6-dimethyl-4-(oxidanylidenemethyl)-3-bicyclo[3.1.1]heptanyl]-2,2,3,3,4,4,4-heptakis(fluoranyl)butan-1-one; nickel(2+)

Systemtic Name: 1-[6,6-dimethyl-4-(oxidanylidenemethyl)-3-bicyclo[3.1.1]heptanyl]-2,2,3,3,4,4,4-heptakis(fluoranyl)butan-1-one; nickel(2+) Openeye Name: nickelous 1-[6,6-dimethyl-2-(oxomethyl)norpinan-3-yl]-2,2,3,3,4,4,4-heptafluoro-butan-1-one CAS Name: 1-[6,6-dimethyl-4-(oxomethyl)-3-bicyclo[3.1.1]heptanyl]-2,2,3,3,4,4,4-heptafluoro-1-butanone; nickel(2+) IUPAC Name: 1-[6,6-dimethyl-4-(oxomethyl)-3-bicyclo[3.1.1]heptanyl]-2,2,3,3,4,4,4-heptafluorobutan-1-one; nickel(2+) Traditional Name: nickelous 2,2,3,3,4,4,4-heptafluoro-1-[2-(ketomethyl)-6,6-dimethyl-norpinan-3-yl]butan-1-one Formula: C28H28F14NiO4 MolecularWeight: 753.190565

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(C(C1C2)[C-]=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C.CC1(C2CC(C(C1C2)[C-]=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C.[Ni+2]

Isomeric SMILES

CC1(C2CC(C(C1C2)[C-]=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C.CC1(C2CC(C(C1C2)[C-]=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C.[Ni+2]

InChI

InChI=1S/2C14H14F7O2.Ni/c2*1-11(2)6-3-7(8(5-22)9(11)4-6)10(23)12(15,16)13(17,18)14(19,20)21;/h2*6-9H,3-4H2,1-2H3;/q2*-1;+2