4-tert-butylbenzoate; cerium(4+); 2-ethylhexanoate

Systemtic Name: 4-tert-butylbenzoate; cerium(4+); 2-ethylhexanoate Openeye Name: 4-tert-butylbenzoate; cerium(4+); 2-ethylhexanoate CAS Name: 4-tert-butylbenzoate; cerium(4+); 2-ethylhexanoate IUPAC Name: 4-tert-butylbenzoate; cerium(4+); 2-ethylhexanoate Traditional Name: 4-tert-butylbenzoate; cerium(4+); 2-ethylhexanoate Formula: C38H56CeO8 MolecularWeight: 780.96244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Ce+4]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Ce+4]

InChI

InChI=1S/2C11H14O2.2C8H16O2.Ce/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;2*1-3-5-6-7(4-2)8(9)10;/h2*4-7H,1-3H3,(H,12,13);2*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4