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

Systemtic Name: sodium 3-(4-butylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate Openeye Name: sodium 3-(4-butylphenyl)-2-(4-isopropylphenoxy)-2-methyl-propanoate CAS Name: sodium 3-(4-butylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate IUPAC Name: sodium 3-(4-butylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate Traditional Name: sodium 3-(4-butylphenyl)-2-(4-isopropylphenoxy)-2-methyl-propionate Formula: C23H29NaO3 MolecularWeight: 376.46433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)C(C)C.[Na+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)C(C)C.[Na+]

InChI

InChI=1S/C23H30O3.Na/c1-5-6-7-18-8-10-19(11-9-18)16-23(4,22(24)25)26-21-14-12-20(13-15-21)17(2)3;/h8-15,17H,5-7,16H2,1-4H3,(H,24,25);/q;+1/p-1