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

Systemtic Name: sodium 4-[3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]benzoate Openeye Name: sodium 4-[3-(2-benzyloxy-5-methylsulfanyl-phenyl)-2-thienyl]benzoate CAS Name: sodium 4-[3-[5-(methylthio)-2-phenylmethoxyphenyl]-2-thiophenyl]benzoate IUPAC Name: sodium 4-[3-(5-methylsulfanyl-2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Traditional Name: sodium 4-[3-[2-benzoxy-5-(methylthio)phenyl]-2-thienyl]benzoate Formula: C25H19NaO3S2 MolecularWeight: 454.53633

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(SC=C3)C4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H20O3S2.Na/c1-29-20-11-12-23(28-16-17-5-3-2-4-6-17)22(15-20)21-13-14-30-24(21)18-7-9-19(10-8-18)25(26)27;/h2-15H,16H2,1H3,(H,26,27);/q;+1/p-1