[4-(phenylsulfonyl)phenyl]methyl 4-nitrobenzoate

Systemtic Name: [4-(phenylsulfonyl)phenyl]methyl 4-nitrobenzoate Openeye Name: [4-(benzenesulfonyl)phenyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(benzenesulfonyl)phenyl]methyl ester IUPAC Name: [4-(benzenesulfonyl)phenyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-besylbenzyl) ester Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO6S/c22-20(16-8-10-17(11-9-16)21(23)24)27-14-15-6-12-19(13-7-15)28(25,26)18-4-2-1-3-5-18/h1-13H,14H2