2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)propanoic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)propanoic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1COC2=CC=CC=C2O1

Isomeric SMILES

CC(C(=O)O)SCC1COC2=CC=CC=C2O1

InChI

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