cyclohexane; ethanenitrile; ethanoic acid; methylbenzene

Systemtic Name: cyclohexane; ethanenitrile; ethanoic acid; methylbenzene Openeye Name: acetic acid; acetonitrile; cyclohexane; toluene CAS Name: acetic acid; acetonitrile; cyclohexane; toluene IUPAC Name: acetic acid; acetonitrile; cyclohexane; toluene Traditional Name: acetic acid; acetonitrile; cyclohexane; toluene Formula: C17H27NO2 MolecularWeight: 277.40178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=CC=CC=C1.CC(=O)O.C1CCCCC1

Isomeric SMILES

CC#N.CC1=CC=CC=C1.CC(=O)O.C1CCCCC1

InChI

InChI=1S/C7H8.C6H12.C2H3N.C2H4O2/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2-3;1-2(3)4/h2-6H,1H3;1-6H2;1H3;1H3,(H,3,4)