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

Systemtic Name: sodium 3-methoxy-4-[3-(2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Openeye Name: sodium 4-[3-(2-benzyloxyphenyl)-2-thienyl]-3-methoxy-benzoate CAS Name: sodium 3-methoxy-4-[3-(2-phenylmethoxyphenyl)-2-thiophenyl]benzoate IUPAC Name: sodium 3-methoxy-4-[3-(2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Traditional Name: sodium 4-[3-(2-benzoxyphenyl)-2-thienyl]-3-methoxy-benzoate Formula: C25H19NaO4S MolecularWeight: 438.47073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])C2=C(C=CS2)C3=CC=CC=C3OCC4=CC=CC=C4.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])C2=C(C=CS2)C3=CC=CC=C3OCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C25H20O4S.Na/c1-28-23-15-18(25(26)27)11-12-21(23)24-20(13-14-30-24)19-9-5-6-10-22(19)29-16-17-7-3-2-4-8-17;/h2-15H,16H2,1H3,(H,26,27);/q;+1/p-1