6-oxidanylidene-6-[[3,7,8-tris(chloranyl)dibenzo-p-dioxin-1-yl]amino]hexanoic acid

Systemtic Name: 6-oxidanylidene-6-[[3,7,8-tris(chloranyl)dibenzo-p-dioxin-1-yl]amino]hexanoic acid Openeye Name: 6-oxo-6-[(3,7,8-trichlorodibenzo-p-dioxin-1-yl)amino]hexanoic acid CAS Name: 6-oxo-6-[(3,7,8-trichloro-1-dibenzo-p-dioxinyl)amino]hexanoic acid IUPAC Name: 6-oxo-6-[(3,7,8-trichlorodibenzo-p-dioxin-1-yl)amino]hexanoic acid Traditional Name: 6-keto-6-[(3,7,8-trichlorodibenzo-p-dioxin-1-yl)amino]hexanoic acid Formula: C18H14Cl3NO5 MolecularWeight: 430.66646

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)NC(=O)CCCCC(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)NC(=O)CCCCC(=O)O)Cl

InChI

InChI=1S/C18H14Cl3NO5/c19-9-5-12(22-16(23)3-1-2-4-17(24)25)18-15(6-9)26-13-7-10(20)11(21)8-14(13)27-18/h5-8H,1-4H2,(H,22,23)(H,24,25)