5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pentanoic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pentanoic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pentanoic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylthio)pentanoic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pentanoic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylthio)valeric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCCCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCCCCC(=O)O

InChI

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