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

Systemtic Name: erbium; (1R,2Z,4S)-2-[2,2,3,3,4,4,4-heptakis(fluoranyl)-1-oxidanyl-butylidene]-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one Openeye Name: erbium; (1S,3Z,4R)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxy-butylidene)-1,7,7-trimethyl-norbornan-2-one CAS Name: erbium; (1R,2Z,4S)-2-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone IUPAC Name: erbium; (1R,2Z,4S)-2-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one Traditional Name: erbium; (1S,3Z,4R)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxy-butylidene)-1,7,7-trimethyl-norbornan-2-one Formula: C42H45ErF21O6 MolecularWeight: 1212.028567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C14H15F7O2.Er/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/b3*9-7-;/t3*6-,11+;/m000./s1