dioctyl phosphate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-olate; titanium(4+)

Systemtic Name: dioctyl phosphate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-olate; titanium(4+) Openeye Name: 3-allyloxy-2-(allyloxymethyl)-2-methyl-propan-1-olate; dioctyl phosphate; titanium(4+) CAS Name: dioctyl phosphate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)-1-propanolate; titanium(4+) IUPAC Name: dioctyl phosphate; 2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-olate; titanium(4+) Traditional Name: 3-allyloxy-2-(allyloxymethyl)-2-methyl-propan-1-olate; dioctyl phosphate; titanium(4+) Formula: C59H121O15P3Ti MolecularWeight: 1211.371323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CC(C[O-])(COCC=C)COCC=C.[Ti+4]

Isomeric SMILES

CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CC(C[O-])(COCC=C)COCC=C.[Ti+4]

InChI

InChI=1S/3C16H35O4P.C11H19O3.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-4-6-13-9-11(3,8-12)10-14-7-5-2;/h3*3-16H2,1-2H3,(H,17,18);4-5H,1-2,6-10H2,3H3;/q;;;-1;+4/p-3