7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxidanylidenetitanium; prop-1-ene; dihydroxide; hydrate

Systemtic Name: 7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxidanylidenetitanium; prop-1-ene; dihydroxide; hydrate Openeye Name: 7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methyl-propane; oxotitanium; prop-1-ene; dihydroxide; hydrate CAS Name: 7,7-dimethyloctanal; 7,7-dimethyl-1-octanone; 2-methanidyl-2-methylpropane; oxotitanium; 1-propene; dihydroxide; hydrate IUPAC Name: 7,7-dimethyloctanal; 7,7-dimethyloctan-1-one; 2-methanidyl-2-methylpropane; oxotitanium; prop-1-ene; dihydroxide; hydrate Traditional Name: 7,7-dimethylcaprylaldehyde; 7,7-dimethyloctan-1-one; ketotitanium; 2-methanidyl-2-methyl-propane; prop-1-ene; dihydroxide; hydrate Formula: C41H83O7Ti-7 MolecularWeight: 735.96052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O.2C10H19O.C5H11.2C3H5.3H2O.O.Ti/c3*1-10(2,3)8-6-4-5-7-9-11;1-5(2,3)4;2*1-3-2;;;;;/h9H,4-8H2,1-3H3;2*4-8H2,1-3H3;1H2,2-4H3;2*3H,1-2H2;3*1H2;;/q;5*-1;;;;;/p-2