methylbenzene; propan-2-one; ethanoate

Systemtic Name: methylbenzene; propan-2-one; ethanoate Openeye Name: acetone; toluene; acetate CAS Name: 2-propanone; toluene; acetate IUPAC Name: propan-2-one; toluene; acetate Traditional Name: acetone; toluene; acetate Formula: C12H17O3- MolecularWeight: 209.26158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C3H6O.C2H4O2/c1-7-5-3-2-4-6-7;1-3(2)4;1-2(3)4/h2-6H,1H3;1-2H3;1H3,(H,3,4)/p-1