tert-butyl propanoate; chloranyltitanium(1+); propan-2-ol

Systemtic Name: tert-butyl propanoate; chloranyltitanium(1+); propan-2-ol Openeye Name: tert-butyl propanoate; chlorotitanium(1+); propan-2-ol CAS Name: chlorotitanium(1+); propanoic acid tert-butyl ester; 2-propanol IUPAC Name: tert-butyl propanoate; chlorotitanium(1+); propan-2-ol Traditional Name: chlorotitanium(1+); propan-2-ol; propionic acid tert-butyl ester Formula: C13H29ClO4Ti MolecularWeight: 332.68696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)(C)OC(=O)C[CH2-].Cl[Ti+]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)(C)OC(=O)C[CH2-].Cl[Ti+]

InChI

InChI=1S/C7H13O2.2C3H8O.ClH.Ti/c1-5-6(8)9-7(2,3)4;2*1-3(2)4;;/h1,5H2,2-4H3;2*3-4H,1-2H3;1H;/q-1;;;;+2/p-1