6-bromanyl-8-[(4-chloranyl-2-nitro-phenyl)sulfanylmethyl]-2-phenyl-4H-1,3-benzodioxine

Systemtic Name: 6-bromanyl-8-[(4-chloranyl-2-nitro-phenyl)sulfanylmethyl]-2-phenyl-4H-1,3-benzodioxine Openeye Name: 6-bromo-8-[(4-chloro-2-nitro-phenyl)sulfanylmethyl]-2-phenyl-4H-1,3-benzodioxine CAS Name: 6-bromo-8-[[(4-chloro-2-nitrophenyl)thio]methyl]-2-phenyl-4H-1,3-benzodioxin IUPAC Name: 6-bromo-8-[(4-chloro-2-nitrophenyl)sulfanylmethyl]-2-phenyl-4H-1,3-benzodioxine Traditional Name: 6-bromo-8-[[(4-chloro-2-nitro-phenyl)thio]methyl]-2-phenyl-4H-1,3-benzodioxin Formula: C21H15BrClNO4S MolecularWeight: 492.7701

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=C(C=C(C=C4)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=C(C=C(C=C4)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C21H15BrClNO4S/c22-16-8-14-11-27-21(13-4-2-1-3-5-13)28-20(14)15(9-16)12-29-19-7-6-17(23)10-18(19)24(25)26/h1-10,21H,11-12H2