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2-[1-(6-methyl-1,3-benzodioxol-5-yl)butylsulfanyl]ethanoic acid

2-[1-(6-methyl-1,3-benzodioxol-5-yl)butylsulfanyl]ethanoic acid

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

Canonical SMILES:

CCCC(C1=CC2=C(C=C1C)OCO2)SCC(=O)O


Isomeric SMILES

CCCC(C1=CC2=C(C=C1C)OCO2)SCC(=O)O


InChI

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


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