calcium 2-(2-tert-butylphenyl)-2-ethyl-hexanoate

Systemtic Name: calcium 2-(2-tert-butylphenyl)-2-ethyl-hexanoate Openeye Name: calcium 2-(2-tert-butylphenyl)-2-ethyl-hexanoate CAS Name: calcium 2-(2-tert-butylphenyl)-2-ethylhexanoate IUPAC Name: calcium 2-(2-tert-butylphenyl)-2-ethylhexanoate Traditional Name: calcium 2-(2-tert-butylphenyl)-2-ethyl-hexanoate Formula: C36H54CaO4 MolecularWeight: 590.88956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C1=CC=CC=C1C(C)(C)C)C(=O)[O-].CCCCC(CC)(C1=CC=CC=C1C(C)(C)C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCC(CC)(C1=CC=CC=C1C(C)(C)C)C(=O)[O-].CCCCC(CC)(C1=CC=CC=C1C(C)(C)C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H28O2.Ca/c2*1-6-8-13-18(7-2,16(19)20)15-12-10-9-11-14(15)17(3,4)5;/h2*9-12H,6-8,13H2,1-5H3,(H,19,20);/q;;+2/p-2