methyl 3-chloranylsulfonyl-5-nitro-benzoate

Systemtic Name: methyl 3-chloranylsulfonyl-5-nitro-benzoate Openeye Name: methyl 3-chlorosulfonyl-5-nitro-benzoate CAS Name: 3-chlorosulfonyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-chlorosulfonyl-5-nitrobenzoate Traditional Name: 3-chlorosulfonyl-5-nitro-benzoic acid methyl ester Formula: C8H6ClNO6S MolecularWeight: 279.65434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClNO6S/c1-16-8(11)5-2-6(10(12)13)4-7(3-5)17(9,14)15/h2-4H,1H3