ethanoic acid; methylbenzene; hydrate

Systemtic Name: ethanoic acid; methylbenzene; hydrate Openeye Name: acetic acid; toluene; hydrate CAS Name: acetic acid; toluene; hydrate IUPAC Name: acetic acid; toluene; hydrate Traditional Name: acetic acid; toluene; hydrate Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8.C2H4O2.H2O/c2*1-7-5-3-2-4-6-7;1-2(3)4;/h2*2-6H,1H3;1H3,(H,3,4);1H2