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

Systemtic Name: methyl 3-chloranylsulfonyl-4-methyl-5-nitro-benzoate Openeye Name: methyl 3-chlorosulfonyl-4-methyl-5-nitro-benzoate CAS Name: 3-chlorosulfonyl-4-methyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-chlorosulfonyl-4-methyl-5-nitrobenzoate Traditional Name: 3-chlorosulfonyl-4-methyl-5-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=C1S(=O)(=O)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)Cl)C(=O)OC)[N+](=O)[O-]

InChI

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