The Titanium triisostearoylisopropoxide is an organic compound with the formula C57H112O7Ti. The systematic name of this chemical is isopropoxy(trioctadecoxy)titanium. With the CAS registry number 61417-49-0, it is also named as Titan(4+)octadecan-1-olatpropan-2-olat(1:3:1).
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCCCO[Ti](OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OC(C)C
(2)InChI: InChI=1/3C18H37O.C3H7O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(2)4;/h3*2-18H2,1H3;3H,1-2H3;/q4*-1;+4/rC57H118O4Ti/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-58-62(61-57(4)5,59-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)60-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h57H,6-56H2,1-5H3
(3)InChIKey: RPGQNDJNZOBQIF-HKTCPMRYAI
(4)Std. InChI: InChI=1S/3C18H37O.C3H7O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-3(2)4;/h3*2-18H2,1H3;3H,1-2H3;/q4*-1;+4
(5)Std. InChIKey: RPGQNDJNZOBQIF-UHFFFAOYSA-N
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