bicyclo[3.1.0]hexa-1(6),2,4-triene; ethanenitrile

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; ethanenitrile Openeye Name: acetonitrile; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: acetonitrile; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: acetonitrile; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: acetonitrile; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C8H7N MolecularWeight: 117.14788

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC2=CC2=C1

Isomeric SMILES

CC#N.C1=CC2=CC2=C1

InChI

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