3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)butanoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)butanoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)butyric acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(CC(=O)O)SC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C12H14O4S/c1-8(6-12(13)14)17-9-2-3-10-11(7-9)16-5-4-15-10/h2-3,7-8H,4-6H2,1H3,(H,13,14)