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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCCCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCCCC(=O)O)OC1

InChI

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