calcium bis(4-octylphenyl) phosphate

Systemtic Name: calcium bis(4-octylphenyl) phosphate Openeye Name: calcium bis(4-octylphenyl) phosphate CAS Name: calcium bis(4-octylphenyl) phosphate IUPAC Name: calcium bis(4-octylphenyl) phosphate Traditional Name: calcium bis(4-octylphenyl) phosphate Formula: C28H42CaO4P+ MolecularWeight: 513.682441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCC.[Ca+2]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)CCCCCCCC.[Ca+2]

InChI

InChI=1S/C28H43O4P.Ca/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)31-33(29,30)32-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2;/h17-24H,3-16H2,1-2H3,(H,29,30);/q;+2/p-1