methylbenzene; propyl ethanoate

Systemtic Name: methylbenzene; propyl ethanoate Openeye Name: propyl acetate; toluene CAS Name: acetic acid propyl ester; toluene IUPAC Name: propyl acetate; toluene Traditional Name: acetic acid propyl ester; toluene Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C5H10O2/c1-7-5-3-2-4-6-7;1-3-4-7-5(2)6/h2-6H,1H3;3-4H2,1-2H3