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Substance Name: Titanate(3-), (P,P-dioctyl diphosphato(2-)-O'')bis(P,P-dioctyl diphosphato(2-)-O'',O'''')(2-propanolato)-, trihydrogen, compd. with bis(2-ethylhexyl) phosphonate (1:1)
RN: 128439-96-3
InChIKey: ANEBTVODGXHGNV-UHFFFAOYSA-H

Molecular Formula

  • C51-H109-O22-P6-Ti.C16-H35-O3-P.3H

Molecular Weight

  • 1614.5346
 
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Names and Synonyms

  • Titanate(3-), (P,P-dioctyl diphosphato(2-)-O'')bis(P,P-dioctyl diphosphato(2-)-O'',O'''')(2-propanolato)-, trihydrogen, compd. with bis(2-ethylhexyl) phosphonate (1:1)

Registry Numbers

CAS Registry Number

  • 128439-96-3

System Generated Number

  • 0128439963

Molecular Formulas

Molecular Formula

  • C51-H109-O22-P6-Ti.C16-H35-O3-P.3H

Molecular Formula Fragments

  • C16-H35-O3-P
  • C51-H109-O22-P6-Ti
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/3C16H36O7P2.C16H35O3P.C3H7O.Ti/c3*1-3-5-7-9-11-13-15-21-24(17,18)23-25(19,20)22-16-14-12-10-8-6-4-2;1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2;1-3(2)4;/h3*3-16H2,1-2H3,(H,17,18)(H,19,20);15-16,20H,5-14H2,1-4H3;3H,1-2H3;/q;;;;-1;+4/p-6

InChIKey

ANEBTVODGXHGNV-UHFFFAOYSA-H

Smiles

CCCCCCCCOP1(=O)OP(=O)(OCCCCCCCC)O[Ti-3]23(OC(C)C)(OP(=O)(OCCCCCCCC)OP(=O)(OCCCCCCCC)O2)(OP(=O)(OCCCCCCCC)OP(=O)(OCCCCCCCC)O3)O1.CCCCC(CC)COP(=O)OCC(CC)CCCC