2,2-bis(prop-2-enoxymethyl)butan-1-olate; ditridecyl phosphite; hydron; titanium(4+)

Systemtic Name: 2,2-bis(prop-2-enoxymethyl)butan-1-olate; ditridecyl phosphite; hydron; titanium(4+) Openeye Name: 2,2-bis(allyloxymethyl)butan-1-olate; ditridecyl phosphite; hydron; titanium(4+) CAS Name: 2,2-bis(prop-2-enoxymethyl)-1-butanolate; ditridecyl phosphite; hydron; titanium(4+) IUPAC Name: 2,2-bis(prop-2-enoxymethyl)butan-1-olate; ditridecyl phosphite; hydron; titanium(4+) Traditional Name: 2,2-bis(allyloxymethyl)butan-1-olate; ditridecyl phosphite; hydron; titanium(4+) Formula: C100H194O18P2Ti MolecularWeight: 1794.414082

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.[Ti+4]

Isomeric SMILES

[H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.[Ti+4]

InChI

InChI=1S/2C26H54O3P.4C12H21O3.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*1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h2*3-26H2,1-2H3;4*4-5H,1-2,6-11H2,3H3;/q6*-1;+4/p+2