sodium 3-(3-ethylphenyl)-2-methyl-2-[4-(phenylmethyl)phenoxy]propanoate

Systemtic Name: sodium 3-(3-ethylphenyl)-2-methyl-2-[4-(phenylmethyl)phenoxy]propanoate Openeye Name: sodium 2-(4-benzylphenoxy)-3-(3-ethylphenyl)-2-methyl-propanoate CAS Name: sodium 3-(3-ethylphenyl)-2-methyl-2-[4-(phenylmethyl)phenoxy]propanoate IUPAC Name: sodium 2-(4-benzylphenoxy)-3-(3-ethylphenyl)-2-methylpropanoate Traditional Name: sodium 2-(4-benzylphenoxy)-3-(3-ethylphenyl)-2-methyl-propionate Formula: C25H25NaO3 MolecularWeight: 396.45397

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC1=CC(=CC=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H26O3.Na/c1-3-19-10-7-11-22(16-19)18-25(2,24(26)27)28-23-14-12-21(13-15-23)17-20-8-5-4-6-9-20;/h4-16H,3,17-18H2,1-2H3,(H,26,27);/q;+1/p-1