methyl 4-chloranylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-chloranylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-chlorosulfonyl-2-nitro-benzoate CAS Name: 4-chlorosulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chlorosulfonyl-2-nitrobenzoate Traditional Name: 4-chlorosulfonyl-2-nitro-benzoic acid methyl ester Formula: C8H6ClNO6S MolecularWeight: 279.65434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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