methylbenzene; propan-2-yl ethanoate

Systemtic Name: methylbenzene; propan-2-yl ethanoate Openeye Name: isopropyl acetate; toluene CAS Name: acetic acid propan-2-yl ester; toluene IUPAC Name: propan-2-yl acetate; toluene Traditional Name: acetic acid isopropyl ester; toluene Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C5H10O2/c1-7-5-3-2-4-6-7;1-4(2)7-5(3)6/h2-6H,1H3;4H,1-3H3