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

Systemtic Name: sodium 3-methyl-4-[3-(2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Openeye Name: sodium 4-[3-(2-benzyloxyphenyl)-2-thienyl]-3-methyl-benzoate CAS Name: sodium 3-methyl-4-[3-(2-phenylmethoxyphenyl)-2-thiophenyl]benzoate IUPAC Name: sodium 3-methyl-4-[3-(2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Traditional Name: sodium 4-[3-(2-benzoxyphenyl)-2-thienyl]-3-methyl-benzoate Formula: C25H19NaO3S MolecularWeight: 422.47133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])C2=C(C=CS2)C3=CC=CC=C3OCC4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])C2=C(C=CS2)C3=CC=CC=C3OCC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C25H20O3S.Na/c1-17-15-19(25(26)27)11-12-20(17)24-22(13-14-29-24)21-9-5-6-10-23(21)28-16-18-7-3-2-4-8-18;/h2-15H,16H2,1H3,(H,26,27);/q;+1/p-1