ethanoic acid; ethyl ethanoate; methylbenzene

Systemtic Name: ethanoic acid; ethyl ethanoate; methylbenzene Openeye Name: acetic acid; ethyl acetate; toluene CAS Name: acetic acid; acetic acid ethyl ester; toluene IUPAC Name: acetic acid; ethyl acetate; toluene Traditional Name: acetic acid; acetic acid ethyl ester; toluene Formula: C13H20O4 MolecularWeight: 240.2955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C4H8O2.C2H4O2/c1-7-5-3-2-4-6-7;1-3-6-4(2)5;1-2(3)4/h2-6H,1H3;3H2,1-2H3;1H3,(H,3,4)