(phenylmethyl) dihydrogen phosphate; tris(2-nonylphenyl) phosphate

Systemtic Name: (phenylmethyl) dihydrogen phosphate; tris(2-nonylphenyl) phosphate Openeye Name: benzyl dihydrogen phosphate; tris(2-nonylphenyl) phosphate CAS Name: (phenylmethyl) dihydrogen phosphate; phosphoric acid tris(2-nonylphenyl) ester IUPAC Name: benzyl dihydrogen phosphate; tris(2-nonylphenyl) phosphate Traditional Name: benzyl dihydrogen phosphate; phosphoric acid tris(2-nonylphenyl) ester Formula: C52H78O8P2 MolecularWeight: 893.118442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC.C1=CC=C(C=C1)COP(=O)(O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC.C1=CC=C(C=C1)COP(=O)(O)O

InChI

InChI=1S/C45H69O4P.C7H9O4P/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;8-12(9,10)11-6-7-4-2-1-3-5-7/h25-30,34-39H,4-24,31-33H2,1-3H3;1-5H,6H2,(H2,8,9,10)