2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 3,5-bis(chloranyl)benzoate

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 3,5-bis(chloranyl)benzoate Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 3,5-dichlorobenzoate CAS Name: 3,5-dichlorobenzoic acid 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethyl ester IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 3,5-dichlorobenzoate Traditional Name: 3,5-dichlorobenzoic acid 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethyl ester Formula: C18H15Cl2NO6S MolecularWeight: 444.2858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCCOC(=O)C3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCCOC(=O)C3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15Cl2NO6S/c19-14-3-11(4-15(20)7-14)18(22)26-1-2-28-9-13-6-16(21(23)24)5-12-8-25-10-27-17(12)13/h3-7H,1-2,8-10H2