2-[2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(6-propyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid IUPAC Name: 2-[2-(6-propyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(6-propyl-1,3-benzodioxol-5-yl)ethylthio]acetic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1CCSCC(=O)O)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1CCSCC(=O)O)OCO2

InChI

InChI=1S/C14H18O4S/c1-2-3-10-6-12-13(18-9-17-12)7-11(10)4-5-19-8-14(15)16/h6-7H,2-5,8-9H2,1H3,(H,15,16)