3-chloranylbenzenecarboperoxoic acid; ethanenitrile

Systemtic Name: 3-chloranylbenzenecarboperoxoic acid; ethanenitrile Openeye Name: acetonitrile; 3-chlorobenzenecarboperoxoic acid CAS Name: acetonitrile; 3-chlorobenzenecarboperoxoic acid IUPAC Name: acetonitrile; 3-chlorobenzenecarboperoxoic acid Traditional Name: acetonitrile; 3-chloroperbenzoic acid Formula: C9H8ClNO3 MolecularWeight: 213.61772

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC(=CC(=C1)Cl)C(=O)OO

Isomeric SMILES

CC#N.C1=CC(=CC(=C1)Cl)C(=O)OO

InChI

InChI=1S/C7H5ClO3.C2H3N/c8-6-3-1-2-5(4-6)7(9)11-10;1-2-3/h1-4,10H;1H3