calcium 4-octylphenolate

Systemtic Name: calcium 4-octylphenolate Openeye Name: calcium 4-octylphenolate CAS Name: calcium 4-octylphenolate IUPAC Name: calcium 4-octylphenolate Traditional Name: calcium 4-octylphenolate Formula: C28H42CaO2 MolecularWeight: 450.70988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCC1=CC=C(C=C1)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)[O-].CCCCCCCCC1=CC=C(C=C1)[O-].[Ca+2]

InChI

InChI=1S/2C14H22O.Ca/c2*1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h2*9-12,15H,2-8H2,1H3;/q;;+2/p-2