cerium(4+); 2-dodecylbenzenesulfonate; 2-ethylhexanoate

Systemtic Name: cerium(4+); 2-dodecylbenzenesulfonate; 2-ethylhexanoate Openeye Name: cerium(4+); 2-dodecylbenzenesulfonate; 2-ethylhexanoate CAS Name: cerium(4+); 2-dodecylbenzenesulfonate; 2-ethylhexanoate IUPAC Name: cerium(4+); 2-dodecylbenzenesulfonate; 2-ethylhexanoate Traditional Name: cerium(4+); 2-ethylhexanoate; 2-laurylbesylate Formula: C52H88CeO10S2 MolecularWeight: 1077.49512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+4]

InChI

InChI=1S/2C18H30O3S.2C8H16O2.Ce/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;2*1-3-5-6-7(4-2)8(9)10;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4