5-(2-bromanyl-4-chloranyl-phenyl)sulfanyl-6-nitro-1,3-benzodioxole

Systemtic Name: 5-(2-bromanyl-4-chloranyl-phenyl)sulfanyl-6-nitro-1,3-benzodioxole Openeye Name: 5-(2-bromo-4-chloro-phenyl)sulfanyl-6-nitro-1,3-benzodioxole CAS Name: 5-[(2-bromo-4-chlorophenyl)thio]-6-nitro-1,3-benzodioxole IUPAC Name: 5-(2-bromo-4-chlorophenyl)sulfanyl-6-nitro-1,3-benzodioxole Traditional Name: 5-[(2-bromo-4-chloro-phenyl)thio]-6-nitro-1,3-benzodioxole Formula: C13H7BrClNO4S MolecularWeight: 388.62098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C13H7BrClNO4S/c14-8-3-7(15)1-2-12(8)21-13-5-11-10(19-6-20-11)4-9(13)16(17)18/h1-5H,6H2