2,2-dimethyloctane; 2,2-dimethylpropane; hydrogen peroxide; oxidanylidenezinc; prop-1-ene; hydrate

Systemtic Name: 2,2-dimethyloctane; 2,2-dimethylpropane; hydrogen peroxide; oxidanylidenezinc; prop-1-ene; hydrate Openeye Name: 2,2-dimethyloctane; hydrogen peroxide; neopentane; oxozinc; prop-1-ene; hydrate CAS Name: 2,2-dimethyloctane; 2,2-dimethylpropane; hydrogen peroxide; oxozinc; 1-propene; hydrate IUPAC Name: 2,2-dimethyloctane; 2,2-dimethylpropane; hydrogen peroxide; oxozinc; prop-1-ene; hydrate Traditional Name: 2,2-dimethyloctane; hydrogen peroxide; ketozinc; neopentane; prop-1-ene; hydrate Formula: C41H89O4Zn-5 MolecularWeight: 711.55196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H21.C5H12.2C3H5.H2O2.H2O.O.Zn/c3*1-5-6-7-8-9-10(2,3)4;1-5(2,3)4;2*1-3-2;1-2;;;/h3*1,5-9H2,2-4H3;1-4H3;2*3H,1-2H2;1-2H;1H2;;/q3*-1;;2*-1;;;;