methyl 3-nitro-4-(phenylsulfonyl)benzoate

Systemtic Name: methyl 3-nitro-4-(phenylsulfonyl)benzoate Openeye Name: methyl 4-(benzenesulfonyl)-3-nitro-benzoate CAS Name: 4-(benzenesulfonyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(benzenesulfonyl)-3-nitrobenzoate Traditional Name: 4-besyl-3-nitro-benzoic acid methyl ester Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO6S/c1-21-14(16)10-7-8-13(12(9-10)15(17)18)22(19,20)11-5-3-2-4-6-11/h2-9H,1H3