aniline; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene; hydrate

Systemtic Name: aniline; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene; hydrate Openeye Name: aniline; hydrogen peroxide; oxotitanium; prop-1-ene; hydrate CAS Name: aniline; hydrogen peroxide; oxotitanium; 1-propene; hydrate IUPAC Name: aniline; hydrogen peroxide; oxotitanium; prop-1-ene; hydrate Traditional Name: hydrogen peroxide; ketotitanium; phenylamine; prop-1-ene; hydrate Formula: C24H32N3O4Ti-5 MolecularWeight: 474.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C=C.[CH2-]C=C.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.O.OO.O=[Ti]

Isomeric SMILES

[CH2-]C=C.[CH2-]C=C.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.C1=CC(=C[C-]=C1)N.O.OO.O=[Ti]

InChI

InChI=1S/3C6H6N.2C3H5.H2O2.H2O.O.Ti/c3*7-6-4-2-1-3-5-6;2*1-3-2;1-2;;;/h3*1-2,4-5H,7H2;2*3H,1-2H2;1-2H;1H2;;/q5*-1;;;;