aniline; aniline; hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxidanylidenezinc; prop-1-ene; hydrate

Systemtic Name: aniline; aniline; hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxidanylidenezinc; prop-1-ene; hydrate Openeye Name: aniline; aniline; hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxozinc; prop-1-ene; hydrate CAS Name: aniline; aniline; hydrogen peroxide; 2-methanidyl-2-methylpropane; oxozinc; 1-propene; hydrate IUPAC Name: aniline; aniline; hydrogen peroxide; 2-methanidyl-2-methylpropane; oxozinc; prop-1-ene; hydrate Traditional Name: hydrogen peroxide; ketozinc; 2-methanidyl-2-methyl-propane; phenylamine; phenylamine; prop-1-ene; hydrate Formula: C29H44N3O4Zn-5 MolecularWeight: 564.08636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7N.2C6H6N.C5H11.2C3H5.H2O2.H2O.O.Zn/c3*7-6-4-2-1-3-5-6;1-5(2,3)4;2*1-3-2;1-2;;;/h1-5H,7H2;2*1-2,4-5H,7H2;1H2,2-4H3;2*3H,1-2H2;1-2H;1H2;;/q;5*-1;;;;