sodium 4-(2-methylphenyl)-4-oxidanyl-butanoate

Systemtic Name: sodium 4-(2-methylphenyl)-4-oxidanyl-butanoate Openeye Name: sodium 4-hydroxy-4-(o-tolyl)butanoate CAS Name: sodium 4-hydroxy-4-(2-methylphenyl)butanoate IUPAC Name: sodium 4-hydroxy-4-(2-methylphenyl)butanoate Traditional Name: sodium 4-hydroxy-4-(o-tolyl)butyrate Formula: C11H13NaO3 MolecularWeight: 216.20889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H14O3.Na/c1-8-4-2-3-5-9(8)10(12)6-7-11(13)14;/h2-5,10,12H,6-7H2,1H3,(H,13,14);/q;+1/p-1