methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoate

Systemtic Name: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoate Openeye Name: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoate CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoate Traditional Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitro-benzoic acid methyl ester Formula: C15H12ClNO6S MolecularWeight: 369.77688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H12ClNO6S/c1-23-15(18)10-2-7-14(17(19)20)11(8-10)9-24(21,22)13-5-3-12(16)4-6-13/h2-8H,9H2,1H3