methylbenzene; 2-methylpropyl ethanoate

Systemtic Name: methylbenzene; 2-methylpropyl ethanoate Openeye Name: isobutyl acetate; toluene CAS Name: acetic acid 2-methylpropyl ester; toluene IUPAC Name: 2-methylpropyl acetate; toluene Traditional Name: acetic acid isobutyl ester; toluene Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)COC(=O)C

Isomeric SMILES

CC1=CC=CC=C1.CC(C)COC(=O)C

InChI

InChI=1S/C7H8.C6H12O2/c1-7-5-3-2-4-6-7;1-5(2)4-8-6(3)7/h2-6H,1H3;5H,4H2,1-3H3