3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoic acid

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)butanoic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)butanoic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)butyric acid Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(CC(=O)O)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H16O4S/c1-9(7-13(14)15)18-10-3-4-11-12(8-10)17-6-2-5-16-11/h3-4,8-9H,2,5-7H2,1H3,(H,14,15)