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

Systemtic Name: sodium 5-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-2-methoxy-benzoate Openeye Name: sodium 5-[3-(2-benzyloxy-5-bromo-phenyl)-2-thienyl]-2-methoxy-benzoate CAS Name: sodium 5-[3-(5-bromo-2-phenylmethoxyphenyl)-2-thiophenyl]-2-methoxybenzoate IUPAC Name: sodium 5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-2-methoxybenzoate Traditional Name: sodium 5-[3-(2-benzoxy-5-bromo-phenyl)-2-thienyl]-2-methoxy-benzoate Formula: C25H18BrNaO4S MolecularWeight: 517.36679

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=CS2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=CS2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H19BrO4S.Na/c1-29-22-9-7-17(13-21(22)25(27)28)24-19(11-12-31-24)20-14-18(26)8-10-23(20)30-15-16-5-3-2-4-6-16;/h2-14H,15H2,1H3,(H,27,28);/q;+1/p-1