sodium 2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoate

Systemtic Name: sodium 2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoate Openeye Name: sodium 2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]acetate CAS Name: sodium 2-[1-(1,3-benzodioxol-5-yl)butylthio]acetate IUPAC Name: sodium 2-[1-(1,3-benzodioxol-5-yl)butylsulfanyl]acetate Traditional Name: sodium 2-[1-(1,3-benzodioxol-5-yl)butylthio]acetate Formula: C13H15NaO4S MolecularWeight: 290.31057

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)[O-].[Na+]

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)[O-].[Na+]

InChI

InChI=1S/C13H16O4S.Na/c1-2-3-12(18-7-13(14)15)9-4-5-10-11(6-9)17-8-16-10;/h4-6,12H,2-3,7-8H2,1H3,(H,14,15);/q;+1/p-1