ethanoic acid; 2-methylpropylbenzene

Systemtic Name: ethanoic acid; 2-methylpropylbenzene Openeye Name: acetic acid; isobutylbenzene CAS Name: acetic acid; 2-methylpropylbenzene IUPAC Name: acetic acid; 2-methylpropylbenzene Traditional Name: acetic acid; isobutylbenzene Formula: C12H18O2 MolecularWeight: 194.27012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14.C2H4O2/c1-9(2)8-10-6-4-3-5-7-10;1-2(3)4/h3-7,9H,8H2,1-2H3;1H3,(H,3,4)