sodium 2-methyl-2-(3-pentadecylphenoxy)propanoate

Systemtic Name: sodium 2-methyl-2-(3-pentadecylphenoxy)propanoate Openeye Name: sodium 2-methyl-2-(3-pentadecylphenoxy)propanoate CAS Name: sodium 2-methyl-2-(3-pentadecylphenoxy)propanoate IUPAC Name: sodium 2-methyl-2-(3-pentadecylphenoxy)propanoate Traditional Name: sodium 2-methyl-2-(3-pentadecylphenoxy)propionate Formula: C25H41NaO3 MolecularWeight: 412.58101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H42O3.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-25(2,3)24(26)27;/h17,19-21H,4-16,18H2,1-3H3,(H,26,27);/q;+1/p-1