sodium 2-phenyl-4-phenylsulfanyl-butanoic acid

Systemtic Name: sodium 2-phenyl-4-phenylsulfanyl-butanoic acid Openeye Name: sodium 2-phenyl-4-phenylsulfanyl-butanoic acid CAS Name: sodium 2-phenyl-4-(phenylthio)butanoic acid IUPAC Name: sodium 2-phenyl-4-phenylsulfanylbutanoic acid Traditional Name: sodium 2-phenyl-4-(phenylthio)butyric acid Formula: C16H16NaO2S+ MolecularWeight: 295.35181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCSC2=CC=CC=C2)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(CCSC2=CC=CC=C2)C(=O)O.[Na+]

InChI

InChI=1S/C16H16O2S.Na/c17-16(18)15(13-7-3-1-4-8-13)11-12-19-14-9-5-2-6-10-14;/h1-10,15H,11-12H2,(H,17,18);/q;+1