methyl 5-chloranylsulfonyl-2-methyl-3-nitro-benzoate

Systemtic Name: methyl 5-chloranylsulfonyl-2-methyl-3-nitro-benzoate Openeye Name: methyl 5-chlorosulfonyl-2-methyl-3-nitro-benzoate CAS Name: 5-chlorosulfonyl-2-methyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-chlorosulfonyl-2-methyl-3-nitrobenzoate Traditional Name: 5-chlorosulfonyl-2-methyl-3-nitro-benzoic acid methyl ester Formula: C9H8ClNO6S MolecularWeight: 293.68092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC)S(=O)(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC)S(=O)(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H8ClNO6S/c1-5-7(9(12)17-2)3-6(18(10,15)16)4-8(5)11(13)14/h3-4H,1-2H3