hexanedinitrile; methyl benzoate

Systemtic Name: hexanedinitrile; methyl benzoate Openeye Name: hexanedinitrile; methyl benzoate CAS Name: benzoic acid methyl ester; hexanedinitrile IUPAC Name: hexanedinitrile; methyl benzoate Traditional Name: adiponitrile; benzoic acid methyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1.C(CCC#N)CC#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1.C(CCC#N)CC#N

InChI

InChI=1S/C8H8O2.C6H8N2/c1-10-8(9)7-5-3-2-4-6-7;7-5-3-1-2-4-6-8/h2-6H,1H3;1-4H2