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

Systemtic Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)propylsulfanyl]ethanoic acid Openeye Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid CAS Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)propylthio]acetic acid IUPAC Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)propylsulfanyl]acetic acid Traditional Name: 2-[1-(6-methyl-1,3-benzodioxol-5-yl)propylthio]acetic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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