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

Systemtic Name: sodium 2-methyl-2-[4-(phenylmethyl)phenoxy]-3-(4-propylphenyl)propanoate Openeye Name: sodium 2-(4-benzylphenoxy)-2-methyl-3-(4-propylphenyl)propanoate CAS Name: sodium 2-methyl-2-[4-(phenylmethyl)phenoxy]-3-(4-propylphenyl)propanoate IUPAC Name: sodium 2-(4-benzylphenoxy)-2-methyl-3-(4-propylphenyl)propanoate Traditional Name: sodium 2-(4-benzylphenoxy)-2-methyl-3-(4-propylphenyl)propionate Formula: C26H27NaO3 MolecularWeight: 410.48055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC1=CC=C(C=C1)CC(C)(C(=O)[O-])OC2=CC=C(C=C2)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C26H28O3.Na/c1-3-7-20-10-12-23(13-11-20)19-26(2,25(27)28)29-24-16-14-22(15-17-24)18-21-8-5-4-6-9-21;/h4-6,8-17H,3,7,18-19H2,1-2H3,(H,27,28);/q;+1/p-1