sodium 2-chloranyl-3-[4-(2,2-dimethyl-3-phenyl-propoxy)phenyl]propanoate

Systemtic Name: sodium 2-chloranyl-3-[4-(2,2-dimethyl-3-phenyl-propoxy)phenyl]propanoate Openeye Name: sodium 2-chloro-3-[4-(2,2-dimethyl-3-phenyl-propoxy)phenyl]propanoate CAS Name: sodium 2-chloro-3-[4-(2,2-dimethyl-3-phenylpropoxy)phenyl]propanoate IUPAC Name: sodium 2-chloro-3-[4-(2,2-dimethyl-3-phenylpropoxy)phenyl]propanoate Traditional Name: sodium 2-chloro-3-[4-(2,2-dimethyl-3-phenyl-propoxy)phenyl]propionate Formula: C20H22ClNaO3 MolecularWeight: 368.82965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)COC2=CC=C(C=C2)CC(C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)COC2=CC=C(C=C2)CC(C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C20H23ClO3.Na/c1-20(2,13-16-6-4-3-5-7-16)14-24-17-10-8-15(9-11-17)12-18(21)19(22)23;/h3-11,18H,12-14H2,1-2H3,(H,22,23);/q;+1/p-1