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

Systemtic Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] naphthalene-2-sulfonate Openeye Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl] ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-23(2,3)21-15-22(26(25-21)19-11-9-18(24)10-12-19)29-30(27,28)20-13-8-16-6-4-5-7-17(16)14-20/h4-15H,1-3H3