3,3,4,4,5-pentaethyl-5-methyl-2-oxidanylidene-heptanoate; zirconium(4+)

Systemtic Name: 3,3,4,4,5-pentaethyl-5-methyl-2-oxidanylidene-heptanoate; zirconium(4+) Openeye Name: 3,3,4,4,5-pentaethyl-5-methyl-2-oxo-heptanoate; zirconium(4+) CAS Name: 3,3,4,4,5-pentaethyl-5-methyl-2-oxoheptanoate; zirconium(4+) IUPAC Name: 3,3,4,4,5-pentaethyl-5-methyl-2-oxoheptanoate; zirconium(4+) Traditional Name: 3,3,4,4,5-pentaethyl-2-keto-5-methyl-enanthate; zirconium(4+) Formula: C144H264O24Zr2 MolecularWeight: 2562.07056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].[Zr+4].[Zr+4]

Isomeric SMILES

CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].CCC(C)(CC)C(CC)(CC)C(CC)(CC)C(=O)C(=O)[O-].[Zr+4].[Zr+4]

InChI

InChI=1S/8C18H34O3.2Zr/c8*1-8-16(7,9-2)18(12-5,13-6)17(10-3,11-4)14(19)15(20)21;;/h8*8-13H2,1-7H3,(H,20,21);;/q;;;;;;;;2*+4/p-8