sodium 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-3-yl]benzoate

Systemtic Name: sodium 4-[2-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-3-yl]benzoate Openeye Name: sodium 4-[2-(2-benzyloxy-5-bromo-phenyl)-3-thienyl]benzoate CAS Name: sodium 4-[2-(5-bromo-2-phenylmethoxyphenyl)-3-thiophenyl]benzoate IUPAC Name: sodium 4-[2-(5-bromo-2-phenylmethoxyphenyl)thiophen-3-yl]benzoate Traditional Name: sodium 4-[2-(2-benzoxy-5-bromo-phenyl)-3-thienyl]benzoate Formula: C24H16BrNaO3S MolecularWeight: 487.34081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=C(C=CS3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=C(C=CS3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C24H17BrO3S.Na/c25-19-10-11-22(28-15-16-4-2-1-3-5-16)21(14-19)23-20(12-13-29-23)17-6-8-18(9-7-17)24(26)27;/h1-14H,15H2,(H,26,27);/q;+1/p-1