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

Systemtic Name: sodium 3-[3-(5-chloranyl-2-phenylmethoxy-phenyl)thiophen-2-yl]benzoate Openeye Name: sodium 3-[3-(2-benzyloxy-5-chloro-phenyl)-2-thienyl]benzoate CAS Name: sodium 3-[3-(5-chloro-2-phenylmethoxyphenyl)-2-thiophenyl]benzoate IUPAC Name: sodium 3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]benzoate Traditional Name: sodium 3-[3-(2-benzoxy-5-chloro-phenyl)-2-thienyl]benzoate Formula: C24H16ClNaO3S MolecularWeight: 442.88981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClO3S.Na/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27;/h1-14H,15H2,(H,26,27);/q;+1/p-1