ditridecyl phosphite; hydron; propan-2-olate; titanium(4+)

Systemtic Name: ditridecyl phosphite; hydron; propan-2-olate; titanium(4+) Openeye Name: ditridecyl phosphite; hydron; propan-2-olate; titanium(4+) CAS Name: ditridecyl phosphite; hydron; 2-propanolate; titanium(4+) IUPAC Name: ditridecyl phosphite; hydron; propan-2-olate; titanium(4+) Traditional Name: ditridecyl phosphite; hydron; propan-2-olate; titanium(4+) Formula: C64H138O10P2Ti MolecularWeight: 1177.589042

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

Isomeric SMILES

[H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

InChI

InChI=1S/2C26H54O3P.4C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3(2)4;/h2*3-26H2,1-2H3;4*3H,1-2H3;/q6*-1;+4/p+2