methylbenzene; 1,3,5-trimethylbenzene

Systemtic Name: methylbenzene; 1,3,5-trimethylbenzene Openeye Name: mesitylene; toluene CAS Name: toluene; 1,3,5-trimethylbenzene IUPAC Name: toluene; 1,3,5-trimethylbenzene Traditional Name: mesitylene; toluene Formula: C16H20 MolecularWeight: 212.33

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12.C7H8/c1-7-4-8(2)6-9(3)5-7;1-7-5-3-2-4-6-7/h4-6H,1-3H3;2-6H,1H3