benzene; ethanoic acid; ethyl ethanoate

Systemtic Name: benzene; ethanoic acid; ethyl ethanoate Openeye Name: acetic acid; benzene; ethyl acetate CAS Name: acetic acid; acetic acid ethyl ester; benzene IUPAC Name: acetic acid; benzene; ethyl acetate Traditional Name: acetic acid; acetic acid ethyl ester; benzene Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6.C4H8O2.C2H4O2/c1-2-4-6-5-3-1;1-3-6-4(2)5;1-2(3)4/h1-6H;3H2,1-2H3;1H3,(H,3,4)