methylbenzene ethanoate

Systemtic Name: methylbenzene ethanoate Openeye Name: toluene acetate CAS Name: toluene acetate IUPAC Name: toluene acetate Traditional Name: toluene acetate Formula: C9H11O2- MolecularWeight: 151.18244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.CC(=O)[O-]

InChI

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