hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxidanylidenezinc; prop-2-enal; prop-1-ene; prop-2-en-1-one; hydrate

Systemtic Name: hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxidanylidenezinc; prop-2-enal; prop-1-ene; prop-2-en-1-one; hydrate Openeye Name: hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxozinc; prop-2-enal; prop-1-ene; prop-2-en-1-one; hydrate CAS Name: hydrogen peroxide; 2-methanidyl-2-methylpropane; oxozinc; 2-propenal; 1-propene; 2-propen-1-one; hydrate IUPAC Name: hydrogen peroxide; 2-methanidyl-2-methylpropane; oxozinc; prop-2-enal; prop-1-ene; prop-2-en-1-one; hydrate Traditional Name: acrolein; hydrogen peroxide; ketozinc; 2-methanidyl-2-methyl-propane; prop-1-ene; prop-2-en-1-one; hydrate Formula: C20H35O7Zn-5 MolecularWeight: 452.8967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11.C3H4O.2C3H3O.2C3H5.H2O2.H2O.O.Zn/c1-5(2,3)4;3*1-2-3-4;2*1-3-2;1-2;;;/h1H2,2-4H3;2-3H,1H2;2*2H,1H2;2*3H,1-2H2;1-2H;1H2;;/q-1;;4*-1;;;;