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sodium tris(2-nonylphenyl) phosphate

sodium tris(2-nonylphenyl) phosphate

Systemtic Name:sodium tris(2-nonylphenyl) phosphate
Openeye Name:sodium tris(2-nonylphenyl) phosphate
CAS Name:sodium phosphoric acid tris(2-nonylphenyl) ester
IUPAC Name:sodium tris(2-nonylphenyl) phosphate
Traditional Name:sodium phosphoric acid tris(2-nonylphenyl) ester
Formula: C45H69NaO4P+
MolecularWeight: 727.990491
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC.[Na+]


Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC.[Na+]


InChI

InChI=1S/C45H69O4P.Na/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)47-50(46,48-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)49-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3;/h25-30,34-39H,4-24,31-33H2,1-3H3;/q;+1


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