2,2-bis(dioctoxyphosphoryloxy)-2-oxidanyl-ethanoate; titanium(4+)

Systemtic Name: 2,2-bis(dioctoxyphosphoryloxy)-2-oxidanyl-ethanoate; titanium(4+) Openeye Name: 2,2-bis(dioctoxyphosphoryloxy)-2-hydroxy-acetate; titanium(4+) CAS Name: 2,2-bis(dioctoxyphosphoryloxy)-2-hydroxyacetate; titanium(4+) IUPAC Name: 2,2-bis(dioctoxyphosphoryloxy)-2-hydroxyacetate; titanium(4+) Traditional Name: 2,2-bis(dioctoxyphosphoryloxy)-2-hydroxy-acetate; titanium(4+) Formula: C136H276O44P8Ti MolecularWeight: 2911.277328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.[Ti+4]

Isomeric SMILES

CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.CCCCCCCCOP(=O)(OCCCCCCCC)OC(C(=O)[O-])(O)OP(=O)(OCCCCCCCC)OCCCCCCCC.[Ti+4]

InChI

InChI=1S/4C34H70O11P2.Ti/c4*1-5-9-13-17-21-25-29-40-46(38,41-30-26-22-18-14-10-6-2)44-34(37,33(35)36)45-47(39,42-31-27-23-19-15-11-7-3)43-32-28-24-20-16-12-8-4;/h4*37H,5-32H2,1-4H3,(H,35,36);/q;;;;+4/p-4