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

Systemtic Name: sodium 2-methyl-2-(4-propan-2-ylphenoxy)-3-(3-propylphenyl)propanoate Openeye Name: sodium 2-(4-isopropylphenoxy)-2-methyl-3-(3-propylphenyl)propanoate CAS Name: sodium 2-methyl-2-(4-propan-2-ylphenoxy)-3-(3-propylphenyl)propanoate IUPAC Name: sodium 2-methyl-2-(4-propan-2-ylphenoxy)-3-(3-propylphenyl)propanoate Traditional Name: sodium 2-(4-isopropylphenoxy)-2-methyl-3-(3-propylphenyl)propionate Formula: C22H27NaO3 MolecularWeight: 362.43775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)C(C)C.[Na+]

Isomeric SMILES

CCCC1=CC(=CC=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)C(C)C.[Na+]

InChI

InChI=1S/C22H28O3.Na/c1-5-7-17-8-6-9-18(14-17)15-22(4,21(23)24)25-20-12-10-19(11-13-20)16(2)3;/h6,8-14,16H,5,7,15H2,1-4H3,(H,23,24);/q;+1/p-1