cyclopentane; methyl (2R,3S)-2,4,4-trimethyl-3-oxidanyl-pentanoate; tris(fluoranyl)methanesulfonic acid; zirconium(2+)

Systemtic Name: cyclopentane; methyl (2R,3S)-2,4,4-trimethyl-3-oxidanyl-pentanoate; tris(fluoranyl)methanesulfonic acid; zirconium(2+) Openeye Name: cyclopentane; methyl (2R,3S)-3-hydroxy-2,4,4-trimethyl-pentanoate; trifluoromethanesulfonic acid; zirconium(2+) CAS Name: cyclopentane; (2R,3S)-3-hydroxy-2,4,4-trimethylpentanoic acid methyl ester; trifluoromethanesulfonic acid; zirconium(2+) IUPAC Name: cyclopentane; methyl (2R,3S)-3-hydroxy-2,4,4-trimethylpentanoate; trifluoromethanesulfonic acid; zirconium(2+) Traditional Name: cyclopentane; (2R,3S)-3-hydroxy-2,4,4-trimethyl-valeric acid methyl ester; triflic acid; zirconium(2+) Formula: C20H39F3O6SZr+2 MolecularWeight: 555.80427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)(C)C)O)C(=O)OC.C1CCCC1.C1CCCC1.C(F)(F)(F)S(=O)(=O)O.[Zr+2]

Isomeric SMILES

C[C@H]([C@@H](C(C)(C)C)O)C(=O)OC.C1CCCC1.C1CCCC1.C(F)(F)(F)S(=O)(=O)O.[Zr+2]

InChI

InChI=1S/C9H18O3.2C5H10.CHF3O3S.Zr/c1-6(8(11)12-5)7(10)9(2,3)4;2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;/h6-7,10H,1-5H3;2*1-5H2;(H,5,6,7);/q;;;;+2/t6-,7+;;;;/m1..../s1