4-nitro-3-(phenylsulfonylmethyl)benzoate

Systemtic Name: 4-nitro-3-(phenylsulfonylmethyl)benzoate Openeye Name: 3-(benzenesulfonylmethyl)-4-nitro-benzoate CAS Name: 3-(benzenesulfonylmethyl)-4-nitrobenzoate IUPAC Name: 3-(benzenesulfonylmethyl)-4-nitrobenzoate Traditional Name: 3-(besylmethyl)-4-nitro-benzoate Formula: C14H10NO6S- MolecularWeight: 320.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11NO6S/c16-14(17)10-6-7-13(15(18)19)11(8-10)9-22(20,21)12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)/p-1