2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 4-chloranylbenzoate Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethyl ester Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO6S/c19-15-3-1-12(2-4-15)18(21)25-5-6-27-10-14-8-16(20(22)23)7-13-9-24-11-26-17(13)14/h1-4,7-8H,5-6,9-11H2