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

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-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-1-sulfonate Traditional Name: naphthalene-1-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=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=CC4=CC=CC=C43)C

InChI

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