2-[1-(1,3-benzodioxol-5-yl)pentylsulfanyl]ethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)pentylsulfanyl]ethanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)pentylsulfanyl]acetic acid CAS Name: 2-[1-(1,3-benzodioxol-5-yl)pentylthio]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)pentylsulfanyl]acetic acid Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)pentylthio]acetic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)O

Isomeric SMILES

CCCCC(C1=CC2=C(C=C1)OCO2)SCC(=O)O

InChI

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