bicyclo[2.2.0]hexa-1(4),2,5-triene; ethanenitrile

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; ethanenitrile Openeye Name: acetonitrile; bicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: acetonitrile; bicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: acetonitrile; bicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: acetonitrile; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C8H7N MolecularWeight: 117.14788

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC2=C1C=C2

Isomeric SMILES

CC#N.C1=CC2=C1C=C2

InChI

InChI=1S/C6H4.C2H3N/c1-2-6-4-3-5(1)6;1-2-3/h1-4H;1H3