hexanediamide; 1,2,3-tris(chloranyl)dibenzo-p-dioxin

Systemtic Name: hexanediamide; 1,2,3-tris(chloranyl)dibenzo-p-dioxin Openeye Name: hexanediamide; 1,2,3-trichlorodibenzo-p-dioxin CAS Name: hexanediamide; 1,2,3-trichlorodibenzo-p-dioxin IUPAC Name: hexanediamide; 1,2,3-trichlorodibenzo-p-dioxin Traditional Name: adipamide; 1,2,3-trichlorodibenzo-p-dioxin Formula: C18H17Cl3N2O4 MolecularWeight: 431.69758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl.C(CCC(=O)N)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl.C(CCC(=O)N)CC(=O)N

InChI

InChI=1S/C12H5Cl3O2.C6H12N2O2/c13-6-5-9-12(11(15)10(6)14)17-8-4-2-1-3-7(8)16-9;7-5(9)3-1-2-4-6(8)10/h1-5H;1-4H2,(H2,7,9)(H2,8,10)