6-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 6-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 6-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 6-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzothiazole Formula: C16H11N3O6S2 MolecularWeight: 405.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6S2/c20-18(21)11-1-2-13-14(5-11)27-16(17-13)26-7-10-4-12(19(22)23)3-9-6-24-8-25-15(9)10/h1-5H,6-8H2