sodium 4-(4-phenylsulfanylphenyl)butanoate

Systemtic Name: sodium 4-(4-phenylsulfanylphenyl)butanoate Openeye Name: sodium 4-(4-phenylsulfanylphenyl)butanoate CAS Name: sodium 4-[4-(phenylthio)phenyl]butanoate IUPAC Name: sodium 4-(4-phenylsulfanylphenyl)butanoate Traditional Name: sodium 4-[4-(phenylthio)phenyl]butyrate Formula: C16H15NaO2S MolecularWeight: 294.34387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)CCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)CCCC(=O)[O-].[Na+]

InChI

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