calcium (2,3-dioctylphenyl) phosphate

Systemtic Name: calcium (2,3-dioctylphenyl) phosphate Openeye Name: calcium (2,3-dioctylphenyl) phosphate CAS Name: calcium (2,3-dioctylphenyl) phosphate IUPAC Name: calcium (2,3-dioctylphenyl) phosphate Traditional Name: calcium (2,3-dioctylphenyl) phosphate Formula: C22H37CaO4P MolecularWeight: 436.578541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39O4P.Ca/c1-3-5-7-9-11-13-16-20-17-15-19-22(26-27(23,24)25)21(20)18-14-12-10-8-6-4-2;/h15,17,19H,3-14,16,18H2,1-2H3,(H2,23,24,25);/q;+2/p-2