methyl 4-chloranylsulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-chloranylsulfonyl-3-nitro-benzoate Openeye Name: methyl 4-chlorosulfonyl-3-nitro-benzoate CAS Name: 4-chlorosulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chlorosulfonyl-3-nitrobenzoate Traditional Name: 4-chlorosulfonyl-3-nitro-benzoic acid methyl ester Formula: C8H6ClNO6S MolecularWeight: 279.65434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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