8-[(4-bromophenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(4-bromophenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-bromophenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[[(4-bromophenyl)thio]methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-bromophenyl)sulfanylmethyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[[(4-bromophenyl)thio]methyl]-6-nitro-4H-1,3-benzodioxin Formula: C15H12BrNO4S MolecularWeight: 382.22908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrNO4S/c16-12-1-3-14(4-2-12)22-8-11-6-13(17(18)19)5-10-7-20-9-21-15(10)11/h1-6H,7-9H2