1,3,6-trinitrodibenzo-p-dioxin

Systemtic Name: 1,3,6-trinitrodibenzo-p-dioxin Openeye Name: 1,3,6-trinitrodibenzo-p-dioxin CAS Name: 1,3,6-trinitrodibenzo-p-dioxin IUPAC Name: 1,3,6-trinitrodibenzo-p-dioxin Traditional Name: 1,3,6-trinitrodibenzo-p-dioxin Formula: C12H5N3O8 MolecularWeight: 319.1834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)OC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H5N3O8/c16-13(17)6-4-8(15(20)21)12-10(5-6)23-11-7(14(18)19)2-1-3-9(11)22-12/h1-5H