aluminum; 2,2-di(propan-2-yloxy)butanoate; octadecan-1-one; oxidanidyl(oxidanylidene)titanium; propan-2-ol

Systemtic Name: aluminum; 2,2-di(propan-2-yloxy)butanoate; octadecan-1-one; oxidanidyl(oxidanylidene)titanium; propan-2-ol Openeye Name: aluminum; 2,2-diisopropoxybutanoate; octadecan-1-one; oxido(oxo)titanium; propan-2-ol CAS Name: aluminum; 2,2-di(propan-2-yloxy)butanoate; 1-octadecanone; oxido(oxo)titanium; 2-propanol IUPAC Name: aluminum; 2,2-di(propan-2-yloxy)butanoate; octadecan-1-one; oxido(oxo)titanium; propan-2-ol Traditional Name: aluminum; 2,2-diisopropoxybutyrate; keto(oxido)titanium; octadecan-1-one; propan-2-ol Formula: C87H170AlO18Ti-4 MolecularWeight: 1579.118438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.CCC(C(=O)[O-])(OC(C)C)OC(C)C.CCC(C(=O)[O-])(OC(C)C)OC(C)C.CCC(C(=O)[O-])(OC(C)C)OC(C)C.CC(C)O.[O-][Ti]=O.[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.CCCCCCCCCCCCCCCCC[C-]=O.CCC(C(=O)[O-])(OC(C)C)OC(C)C.CCC(C(=O)[O-])(OC(C)C)OC(C)C.CCC(C(=O)[O-])(OC(C)C)OC(C)C.CC(C)O.[O-][Ti]=O.[Al+3]

InChI

InChI=1S/3C18H35O.3C10H20O4.C3H8O.Al.2O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;3*1-6-10(9(11)12,13-7(2)3)14-8(4)5;1-3(2)4;;;;/h3*2-17H2,1H3;3*7-8H,6H2,1-5H3,(H,11,12);3-4H,1-2H3;;;;/q3*-1;;;;;+3;;-1;/p-3