sodium 5-phenyl-2-(phenylmethylsulfanyl)pentanoate

Systemtic Name: sodium 5-phenyl-2-(phenylmethylsulfanyl)pentanoate Openeye Name: sodium 2-benzylsulfanyl-5-phenyl-pentanoate CAS Name: sodium 5-phenyl-2-(phenylmethylthio)pentanoate IUPAC Name: sodium 2-benzylsulfanyl-5-phenylpentanoate Traditional Name: sodium 2-(benzylthio)-5-phenyl-valerate Formula: C18H19NaO2S MolecularWeight: 322.39703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C(=O)[O-])SCC2=CC=CC=C2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C(=O)[O-])SCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H20O2S.Na/c19-18(20)17(21-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15;/h1-6,8-11,17H,7,12-14H2,(H,19,20);/q;+1/p-1