[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2,5-bis(chloranyl)benzoate

Systemtic Name: [(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2,5-bis(chloranyl)benzoate Openeye Name: [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H15BrCl2O4 MolecularWeight: 494.1621

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=C(C=CC(=C4)Cl)Cl)Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)C4=C(C=CC(=C4)Cl)Cl)Br

InChI

InChI=1S/C22H15BrCl2O4/c23-16-8-14(11-27-21(26)18-10-17(24)6-7-19(18)25)20-15(9-16)12-28-22(29-20)13-4-2-1-3-5-13/h1-10,22H,11-12H2/t22-/m0/s1