3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]propanoic acid IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]propionic acid Formula: C13H15ClO4S MolecularWeight: 302.7738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCCC(=O)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCCC(=O)O)Cl)OC1

InChI

InChI=1S/C13H15ClO4S/c14-10-6-9(8-19-5-2-12(15)16)7-11-13(10)18-4-1-3-17-11/h6-7H,1-5,8H2,(H,15,16)