2,2-dimethyloctane; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene

Systemtic Name: 2,2-dimethyloctane; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene Openeye Name: 2,2-dimethyloctane; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxotitanium; prop-1-ene CAS Name: 2,2-dimethyloctane; 2,2-dimethyl-1-propanol; hydrogen peroxide; oxotitanium; 1-propene IUPAC Name: 2,2-dimethyloctane; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxotitanium; prop-1-ene Traditional Name: 2,2-dimethyloctane; 2,2-dimethylpropan-1-ol; hydrogen peroxide; ketotitanium; prop-1-ene Formula: C41H87O4Ti-5 MolecularWeight: 691.99408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H21.C5H12O.2C3H5.H2O2.O.Ti/c3*1-5-6-7-8-9-10(2,3)4;1-5(2,3)4-6;2*1-3-2;1-2;;/h3*1,5-9H2,2-4H3;6H,4H2,1-3H3;2*3H,1-2H2;1-2H;;/q3*-1;;2*-1;;;