[4-(phenylmethyl)sulfonylphenyl]methyl 4-methyl-3-nitro-benzoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-benzylsulfonylphenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-benzylsulfonylbenzyl) ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO6S/c1-16-7-10-19(13-21(16)23(25)26)22(24)29-14-17-8-11-20(12-9-17)30(27,28)15-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3