(2-phenyl-5-propan-2-yl-pyrazol-3-yl) naphthalene-1-sulfonate

Systemtic Name: (2-phenyl-5-propan-2-yl-pyrazol-3-yl) naphthalene-1-sulfonate Openeye Name: (5-isopropyl-2-phenyl-pyrazol-3-yl) naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid (2-phenyl-5-propan-2-yl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propan-2-ylpyrazol-3-yl) naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid (5-isopropyl-2-phenyl-pyrazol-3-yl) ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S/c1-16(2)20-15-22(24(23-20)18-11-4-3-5-12-18)27-28(25,26)21-14-8-10-17-9-6-7-13-19(17)21/h3-16H,1-2H3