[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S/c1-23(2,3)21-15-22(25(24-21)17-11-13-18(14-12-17)26(27)28)31-32(29,30)20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3