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

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] naphthalene-2-sulfonate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C25H26N2O3S/c1-17-10-13-22(18(2)14-17)27-24(16-23(26-27)25(3,4)5)30-31(28,29)21-12-11-19-8-6-7-9-20(19)15-21/h6-16H,1-5H3