2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]butanoic acid

Systemtic Name: 2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]butanoic acid Openeye Name: 2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]butanoic acid CAS Name: 2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylthio]butanoic acid IUPAC Name: 2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylsulfanyl]butanoic acid Traditional Name: 2-[1-(6-ethyl-1,3-benzodioxol-5-yl)propylthio]butyric acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(CC)SC(CC)C(=O)O)OCO2

Isomeric SMILES

CCC1=CC2=C(C=C1C(CC)SC(CC)C(=O)O)OCO2

InChI

InChI=1S/C16H22O4S/c1-4-10-7-12-13(20-9-19-12)8-11(10)14(5-2)21-15(6-3)16(17)18/h7-8,14-15H,4-6,9H2,1-3H3,(H,17,18)