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

Systemtic Name: (1S,2Z,4R)-2-[2,2,3,3,4,4,4-heptakis(fluoranyl)-1-oxidanyl-butylidene]-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one; ytterbium Openeye Name: (1R,3Z,4S)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxy-butylidene)-1,7,7-trimethyl-norbornan-2-one; ytterbium CAS Name: (1S,2Z,4R)-2-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone; ytterbium IUPAC Name: (1S,2Z,4R)-2-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one; ytterbium Traditional Name: (1R,3Z,4S)-3-(2,2,3,3,4,4,4-heptafluoro-1-hydroxy-butylidene)-1,7,7-trimethyl-norbornan-2-one; ytterbium Formula: C42H45F21O6Yb MolecularWeight: 1217.809567

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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.[Yb]

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.[Yb]

InChI

InChI=1S/3C14H15F7O2.Yb/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+;/m111./s1