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: C56H84CaO8P2 MolecularWeight: 987.286882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C28H43O4P.Ca/c2*1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)31-33(29,30)32-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2;/h2*17-24H,3-16H2,1-2H3,(H,29,30);/q;;+2/p-2