ethanoic acid; 1,2,3-trimethylbenzene

Systemtic Name: ethanoic acid; 1,2,3-trimethylbenzene Openeye Name: acetic acid; 1,2,3-trimethylbenzene CAS Name: acetic acid; 1,2,3-trimethylbenzene IUPAC Name: acetic acid; 1,2,3-trimethylbenzene Traditional Name: acetic acid; hemimellitene Formula: C11H16O2 MolecularWeight: 180.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12.C2H4O2/c1-7-5-4-6-8(2)9(7)3;1-2(3)4/h4-6H,1-3H3;1H3,(H,3,4)