[4-(phenylmethyl)sulfonylphenyl]methyl 2-nitrobenzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 2-nitrobenzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-benzylsulfonylbenzyl) ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO6S/c23-21(19-8-4-5-9-20(19)22(24)25)28-14-16-10-12-18(13-11-16)29(26,27)15-17-6-2-1-3-7-17/h1-13H,14-15H2