methane; 2-[4-(2-methylpropyl)phenyl]ethanoate

Systemtic Name: methane; 2-[4-(2-methylpropyl)phenyl]ethanoate Openeye Name: 2-(4-isobutylphenyl)acetate; methane CAS Name: methane; 2-[4-(2-methylpropyl)phenyl]acetate IUPAC Name: methane; 2-[4-(2-methylpropyl)phenyl]acetate Traditional Name: 2-(4-isobutylphenyl)acetate; methane Formula: C13H19O2- MolecularWeight: 207.28876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)CC1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

C.CC(C)CC1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C12H16O2.CH4/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14;/h3-6,9H,7-8H2,1-2H3,(H,13,14);1H4/p-1