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

Systemtic Name: sodium 2-[4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]phenyl]ethanoate Openeye Name: sodium 2-[4-[3-(2-benzyloxy-5-bromo-phenyl)-2-thienyl]phenyl]acetate CAS Name: sodium 2-[4-[3-(5-bromo-2-phenylmethoxyphenyl)-2-thiophenyl]phenyl]acetate IUPAC Name: sodium 2-[4-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]acetate Traditional Name: sodium 2-[4-[3-(2-benzoxy-5-bromo-phenyl)-2-thienyl]phenyl]acetate Formula: C25H18BrNaO3S MolecularWeight: 501.36739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrO3S.Na/c26-20-10-11-23(29-16-18-4-2-1-3-5-18)22(15-20)21-12-13-30-25(21)19-8-6-17(7-9-19)14-24(27)28;/h1-13,15H,14,16H2,(H,27,28);/q;+1/p-1