3-(4-methanoylphenyl)-2-methyl-propanoic acid; propan-2-ol

Systemtic Name: 3-(4-methanoylphenyl)-2-methyl-propanoic acid; propan-2-ol Openeye Name: 3-(4-formylphenyl)-2-methyl-propanoic acid; propan-2-ol CAS Name: 3-(4-formylphenyl)-2-methylpropanoic acid; 2-propanol IUPAC Name: 3-(4-formylphenyl)-2-methylpropanoic acid; propan-2-ol Traditional Name: 3-(4-formylphenyl)-2-methyl-propionic acid; propan-2-ol Formula: C14H20O4 MolecularWeight: 252.3062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3.C3H8O/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9;1-3(2)4/h2-5,7-8H,6H2,1H3,(H,13,14);3-4H,1-2H3