erbium; (2Z,4R)-4,7,7-trimethyl-2-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethylidene]bicyclo[2.2.1]heptan-3-one

Systemtic Name: erbium; (2Z,4R)-4,7,7-trimethyl-2-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethylidene]bicyclo[2.2.1]heptan-3-one Openeye Name: erbium; (1R,3Z)-1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxy-ethylidene)norbornan-2-one CAS Name: erbium; (2Z,4R)-4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)-3-bicyclo[2.2.1]heptanone IUPAC Name: erbium; (2Z,4R)-4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-3-one Traditional Name: erbium; (1R,3Z)-1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxy-ethylidene)norbornan-2-one Formula: C36H45ErF9O6 MolecularWeight: 911.983529

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.[Er]

Isomeric SMILES

C[C@@]12C(C(/C(=C(/O)\C(F)(F)F)/C1=O)CC2)(C)C.C[C@@]12C(C(/C(=C(/O)\C(F)(F)F)/C1=O)CC2)(C)C.C[C@@]12C(C(/C(=C(/O)\C(F)(F)F)/C1=O)CC2)(C)C.[Er]

InChI

InChI=1S/3C12H15F3O2.Er/c3*1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15;/h3*6,17H,4-5H2,1-3H3;/b3*9-7-;/t3*6?,11-;/m000./s1