cerium(4+); decanedioate; 2-ethylhexanoate

Systemtic Name: cerium(4+); decanedioate; 2-ethylhexanoate Openeye Name: cerium(4+); decanedioate; 2-ethylhexanoate CAS Name: cerium(4+); decanedioate; 2-ethylhexanoate IUPAC Name: cerium(4+); decanedioate; 2-ethylhexanoate Traditional Name: cerium(4+); 2-ethylhexanoate; sebacate Formula: C72H124Ce3O24 MolecularWeight: 1794.08856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].[Ce+4].[Ce+4].[Ce+4]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].C(CCCCC(=O)[O-])CCCC(=O)[O-].[Ce+4].[Ce+4].[Ce+4]

InChI

InChI=1S/4C10H18O4.4C8H16O2.3Ce/c4*11-9(12)7-5-3-1-2-4-6-8-10(13)14;4*1-3-5-6-7(4-2)8(9)10;;;/h4*1-8H2,(H,11,12)(H,13,14);4*7H,3-6H2,1-2H3,(H,9,10);;;/q;;;;;;;;3*+4/p-12