[(E)-2-(4-methoxyphenyl)carbonylbut-2-enyl] pyrazole-1-sulfonate

Systemtic Name: [(E)-2-(4-methoxyphenyl)carbonylbut-2-enyl] pyrazole-1-sulfonate Openeye Name: [(E)-2-(4-methoxybenzoyl)but-2-enyl] pyrazole-1-sulfonate CAS Name: 1-pyrazolesulfonic acid [(E)-2-[(4-methoxyphenyl)-oxomethyl]but-2-enyl] ester IUPAC Name: [(E)-2-(4-methoxybenzoyl)but-2-enyl] pyrazole-1-sulfonate Traditional Name: pyrazole-1-sulfonic acid [(E)-2-p-anisoylbut-2-enyl] ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(COS(=O)(=O)N1C=CC=N1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C/C=C(\COS(=O)(=O)N1C=CC=N1)/C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H16N2O5S/c1-3-12(11-22-23(19,20)17-10-4-9-16-17)15(18)13-5-7-14(21-2)8-6-13/h3-10H,11H2,1-2H3/b12-3+