(2-isocyano-2-methyl-propyl) hydrogen carbonate; methylbenzene; yttrium

Systemtic Name: (2-isocyano-2-methyl-propyl) hydrogen carbonate; methylbenzene; yttrium Openeye Name: (2-isocyano-2-methyl-propyl) hydrogen carbonate; methylbenzene; yttrium CAS Name: carbonic acid (2-isocyano-2-methylpropyl) ester; methylbenzene; yttrium IUPAC Name: (2-isocyano-2-methylpropyl) hydrogen carbonate; methylbenzene; yttrium Traditional Name: carbonic acid (2-isocyano-2-methyl-propyl) ester; methylbenzene; yttrium Formula: C13H16NO3Y- MolecularWeight: 323.17689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[C-]C=C1.CC(C)(COC(=O)O)[N+]#[C-].[Y]

Isomeric SMILES

CC1=CC=[C-]C=C1.CC(C)(COC(=O)O)[N+]#[C-].[Y]

InChI

InChI=1S/C7H7.C6H9NO3.Y/c1-7-5-3-2-4-6-7;1-6(2,7-3)4-10-5(8)9;/h3-6H,1H3;4H2,1-2H3,(H,8,9);/q-1;;