2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)butylthio]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butylsulfanyl]acetic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)butylthio]acetic acid Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCCSCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCCSCC(=O)O

InChI

InChI=1S/C13H16O4S/c14-13(15)8-18-6-2-1-3-10-4-5-11-12(7-10)17-9-16-11/h4-5,7H,1-3,6,8-9H2,(H,14,15)