5-(2-bromophenyl)sulfanyl-6-nitro-1,3-benzodioxole

Systemtic Name: 5-(2-bromophenyl)sulfanyl-6-nitro-1,3-benzodioxole Openeye Name: 5-(2-bromophenyl)sulfanyl-6-nitro-1,3-benzodioxole CAS Name: 5-[(2-bromophenyl)thio]-6-nitro-1,3-benzodioxole IUPAC Name: 5-(2-bromophenyl)sulfanyl-6-nitro-1,3-benzodioxole Traditional Name: 5-[(2-bromophenyl)thio]-6-nitro-1,3-benzodioxole Formula: C13H8BrNO4S MolecularWeight: 354.17592

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC3=CC=CC=C3Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])SC3=CC=CC=C3Br

InChI

InChI=1S/C13H8BrNO4S/c14-8-3-1-2-4-12(8)20-13-6-11-10(18-7-19-11)5-9(13)15(16)17/h1-6H,7H2