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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pentanoic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pentanoic acid CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)pentanoic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pentanoic acid Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)valeric acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c15-14(16)4-1-2-9-19-11-5-6-12-13(10-11)18-8-3-7-17-12/h5-6,10H,1-4,7-9H2,(H,15,16)