sodium 3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate

Systemtic Name: sodium 3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate Openeye Name: sodium 3-(3-ethylphenyl)-2-(4-isopropylphenoxy)-2-methyl-propanoate CAS Name: sodium 3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate IUPAC Name: sodium 3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate Traditional Name: sodium 3-(3-ethylphenyl)-2-(4-isopropylphenoxy)-2-methyl-propionate Formula: C21H25NaO3 MolecularWeight: 348.41117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)C(C)C.[Na+]

Isomeric SMILES

CCC1=CC(=CC=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)C(C)C.[Na+]

InChI

InChI=1S/C21H26O3.Na/c1-5-16-7-6-8-17(13-16)14-21(4,20(22)23)24-19-11-9-18(10-12-19)15(2)3;/h6-13,15H,5,14H2,1-4H3,(H,22,23);/q;+1/p-1