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

Systemtic Name: aniline; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene Openeye Name: aniline; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxotitanium; prop-1-ene CAS Name: aniline; 2,2-dimethyl-1-propanol; hydrogen peroxide; oxotitanium; 1-propene IUPAC Name: aniline; 2,2-dimethylpropan-1-ol; hydrogen peroxide; oxotitanium; prop-1-ene Traditional Name: 2,2-dimethylpropan-1-ol; hydrogen peroxide; ketotitanium; phenylamine; prop-1-ene Formula: C29H44N3O4Ti-3 MolecularWeight: 546.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC=C.CC=C.CC(C)(C)CO.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.OO.O=[Ti]

Isomeric SMILES

CC=C.CC=C.CC(C)(C)CO.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.OO.O=[Ti]

InChI

InChI=1S/3C6H6N.C5H12O.2C3H6.H2O2.O.Ti/c3*7-6-4-2-1-3-5-6;1-5(2,3)4-6;2*1-3-2;1-2;;/h3*1-2,4-5H,7H2;6H,4H2,1-3H3;2*3H,1H2,2H3;1-2H;;/q3*-1;;;;;;