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

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

C1C(OC2=CC=CC=C2O1)CSCCC(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CSCCC(=O)O

InChI

InChI=1S/C12H14O4S/c13-12(14)5-6-17-8-9-7-15-10-3-1-2-4-11(10)16-9/h1-4,9H,5-8H2,(H,13,14)