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2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]ethanoic acid

2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]ethanoic acid

Systemtic Name:2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]ethanoic acid
Openeye Name:2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid
CAS Name:2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylthio]acetic acid
IUPAC Name:2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid
Traditional Name:2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylthio]acetic acid
Formula: C14H18O4S
MolecularWeight: 282.35532
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(CC)SCC(=O)O)OCO2


Isomeric SMILES

CCC1=CC2=C(C=C1C(CC)SCC(=O)O)OCO2


InChI

InChI=1S/C14H18O4S/c1-3-9-5-11-12(18-8-17-11)6-10(9)13(4-2)19-7-14(15)16/h5-6,13H,3-4,7-8H2,1-2H3,(H,15,16)


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