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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O3.Na/c1-5-6-8-18-9-7-10-19(15-18)16-23(4,22(24)25)26-21-13-11-20(12-14-21)17(2)3;/h7,9-15,17H,5-6,8,16H2,1-4H3,(H,24,25);/q;+1/p-1