2-(phenylmethyl)butanoic acid; sodium

Systemtic Name: 2-(phenylmethyl)butanoic acid; sodium Openeye Name: 2-benzylbutanoic acid; sodium CAS Name: 2-(phenylmethyl)butanoic acid; sodium IUPAC Name: 2-benzylbutanoic acid; sodium Traditional Name: 2-benzylbutyric acid; sodium Formula: C11H14NaO2 MolecularWeight: 201.21743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(=O)O.[Na]

Isomeric SMILES

CCC(CC1=CC=CC=C1)C(=O)O.[Na]

InChI

InChI=1S/C11H14O2.Na/c1-2-10(11(12)13)8-9-6-4-3-5-7-9;/h3-7,10H,2,8H2,1H3,(H,12,13);