4,4,4-tributoxy-2-ethanoyl-butanoate; zirconium(4+)

Systemtic Name: 4,4,4-tributoxy-2-ethanoyl-butanoate; zirconium(4+) Openeye Name: 2-acetyl-4,4,4-tributoxy-butanoate; zirconium(4+) CAS Name: 2-acetyl-4,4,4-tributoxybutanoate; zirconium(4+) IUPAC Name: 2-acetyl-4,4,4-tributoxybutanoate; zirconium(4+) Traditional Name: 2-acetyl-4,4,4-tributoxy-butyrate; zirconium(4+) Formula: C72H132O24Zr MolecularWeight: 1473.02808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C18H34O6.Zr/c4*1-5-8-11-22-18(23-12-9-6-2,24-13-10-7-3)14-16(15(4)19)17(20)21;/h4*16H,5-14H2,1-4H3,(H,20,21);/q;;;;+4/p-4