(4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]benzenesulfonate

Systemtic Name: (4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]benzenesulfonate Openeye Name: (4-nitrophenyl) 2-(4-isobutylphenyl)benzenesulfonate CAS Name: 2-[4-(2-methylpropyl)phenyl]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]benzenesulfonate Traditional Name: 2-(4-isobutylphenyl)benzenesulfonic acid (4-nitrophenyl) ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO5S/c1-16(2)15-17-7-9-18(10-8-17)21-5-3-4-6-22(21)29(26,27)28-20-13-11-19(12-14-20)23(24)25/h3-14,16H,15H2,1-2H3