methyl 4-chloranyl-3-chloranylsulfonyl-5-nitro-benzoate

Systemtic Name: methyl 4-chloranyl-3-chloranylsulfonyl-5-nitro-benzoate Openeye Name: methyl 4-chloro-3-chlorosulfonyl-5-nitro-benzoate CAS Name: 4-chloro-3-chlorosulfonyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-chlorosulfonyl-5-nitrobenzoate Traditional Name: 4-chloro-3-chlorosulfonyl-5-nitro-benzoic acid methyl ester Formula: C8H5Cl2NO6S MolecularWeight: 314.0994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H5Cl2NO6S/c1-17-8(12)4-2-5(11(13)14)7(9)6(3-4)18(10,15)16/h2-3H,1H3