(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chlorophenyl)sulfonylpropanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chlorophenyl)sulfonylpropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chlorophenyl)sulfonylpropanoate CAS Name: 3-(2-chlorophenyl)sulfonylpropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(2-chlorophenyl)sulfonylpropionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16ClNO8S MolecularWeight: 441.83954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCS(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCS(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClNO8S/c19-15-3-1-2-4-16(15)29(24,25)6-5-17(21)27-10-13-8-14(20(22)23)7-12-9-26-11-28-18(12)13/h1-4,7-8H,5-6,9-11H2