sodium 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate

Systemtic Name: sodium 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate Openeye Name: sodium 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate CAS Name: sodium 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate IUPAC Name: sodium 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate Traditional Name: sodium 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyrate Formula: C18H18ClNaO3 MolecularWeight: 340.77649

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)[O-])OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

CCC(C)(C(=O)[O-])OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C18H19ClO3.Na/c1-3-18(2,17(20)21)22-16-10-6-14(7-11-16)12-13-4-8-15(19)9-5-13;/h4-11H,3,12H2,1-2H3,(H,20,21);/q;+1/p-1