2,2,3-tributoxyoctadecanoate; zirconium(4+)

Systemtic Name: 2,2,3-tributoxyoctadecanoate; zirconium(4+) Openeye Name: 2,2,3-tributoxyoctadecanoate; zirconium(4+) CAS Name: 2,2,3-tributoxyoctadecanoate; zirconium(4+) IUPAC Name: 2,2,3-tributoxyoctadecanoate; zirconium(4+) Traditional Name: 2,2,3-tributoxystearate; zirconium(4+) Formula: C120H236O20Zr MolecularWeight: 2090.36984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C30H60O5.Zr/c4*1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28(33-25-10-6-2)30(29(31)32,34-26-11-7-3)35-27-12-8-4;/h4*28H,5-27H2,1-4H3,(H,31,32);/q;;;;+4/p-4