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sodium 2-(phenylmethylsulfanyl)ethanoate

sodium 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name:sodium 2-(phenylmethylsulfanyl)ethanoate
Openeye Name:sodium 2-benzylsulfanylacetate
CAS Name:sodium 2-(phenylmethylthio)acetate
IUPAC Name:sodium 2-benzylsulfanylacetate
Traditional Name:sodium 2-(benzylthio)acetate
Formula: C9H9NaO2S
MolecularWeight: 204.22133
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)[O-].[Na+]


InChI

InChI=1S/C9H10O2S.Na/c10-9(11)7-12-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,10,11);/q;+1/p-1


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