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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C3=C(SC(=C3)Br)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C3=C(SC(=C3)Br)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

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