sodium 3-[2-[5-chloranyl-2-(2-methylpropoxy)phenyl]phenyl]benzoate

Systemtic Name: sodium 3-[2-[5-chloranyl-2-(2-methylpropoxy)phenyl]phenyl]benzoate Openeye Name: sodium 3-[2-(5-chloro-2-isobutoxy-phenyl)phenyl]benzoate CAS Name: sodium 3-[2-[5-chloro-2-(2-methylpropoxy)phenyl]phenyl]benzoate IUPAC Name: sodium 3-[2-[5-chloro-2-(2-methylpropoxy)phenyl]phenyl]benzoate Traditional Name: sodium 3-[2-(5-chloro-2-isobutoxy-phenyl)phenyl]benzoate Formula: C23H20ClNaO3 MolecularWeight: 402.84587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Cl)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Cl)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H21ClO3.Na/c1-15(2)14-27-22-11-10-18(24)13-21(22)20-9-4-3-8-19(20)16-6-5-7-17(12-16)23(25)26;/h3-13,15H,14H2,1-2H3,(H,25,26);/q;+1/p-1