7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxidanylidenetitanium; prop-2-en-1-ol

Systemtic Name: 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxidanylidenetitanium; prop-2-en-1-ol Openeye Name: 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxotitanium; prop-2-en-1-ol CAS Name: 7,7-dimethyl-1-octanone; 2-methanidyl-2-methylpropane; oxotitanium; 2-propen-1-ol IUPAC Name: 7,7-dimethyloctan-1-one; 2-methanidyl-2-methylpropane; oxotitanium; prop-2-en-1-ol Traditional Name: 7,7-dimethyloctan-1-one; ketotitanium; 2-methanidyl-2-methyl-propane; prop-2-en-1-ol Formula: C41H80O6Ti-4 MolecularWeight: 716.9373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[CH2-].CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.C=CCO.C=CCO.O=[Ti]

Isomeric SMILES

CC(C)(C)[CH2-].CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.C=CCO.C=CCO.O=[Ti]

InChI

InChI=1S/3C10H19O.C5H11.2C3H6O.O.Ti/c3*1-10(2,3)8-6-4-5-7-9-11;1-5(2,3)4;2*1-2-3-4;;/h3*4-8H2,1-3H3;1H2,2-4H3;2*2,4H,1,3H2;;/q4*-1;;;;