sodium 4-[2-(3-bromanyl-5-chloranyl-2-phenylmethoxy-phenyl)ethyl]benzoate

Systemtic Name: sodium 4-[2-(3-bromanyl-5-chloranyl-2-phenylmethoxy-phenyl)ethyl]benzoate Openeye Name: sodium 4-[2-(2-benzyloxy-3-bromo-5-chloro-phenyl)ethyl]benzoate CAS Name: sodium 4-[2-(3-bromo-5-chloro-2-phenylmethoxyphenyl)ethyl]benzoate IUPAC Name: sodium 4-[2-(3-bromo-5-chloro-2-phenylmethoxyphenyl)ethyl]benzoate Traditional Name: sodium 4-[2-(2-benzoxy-3-bromo-5-chloro-phenyl)ethyl]benzoate Formula: C22H17BrClNaO3 MolecularWeight: 467.71535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)[O-])Cl)Br.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)[O-])Cl)Br.[Na+]

InChI

InChI=1S/C22H18BrClO3.Na/c23-20-13-19(24)12-18(21(20)27-14-16-4-2-1-3-5-16)11-8-15-6-9-17(10-7-15)22(25)26;/h1-7,9-10,12-13H,8,11,14H2,(H,25,26);/q;+1/p-1