sodium 4-(3-methyl-5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate

Systemtic Name: sodium 4-(3-methyl-5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate Openeye Name: sodium 4-(3-methyl-5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate CAS Name: sodium 4-(3-methyl-5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate IUPAC Name: sodium 4-(3-methyl-5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonate Traditional Name: sodium 4-(5-methyl-3-phenyl-2-pyrazolin-1-yl)besylate Formula: C16H15N2NaO3S MolecularWeight: 338.35667

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NN1C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1CC(=NN1C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H16N2O3S.Na/c1-12-11-16(13-5-3-2-4-6-13)17-18(12)14-7-9-15(10-8-14)22(19,20)21;/h2-10,12H,11H2,1H3,(H,19,20,21);/q;+1/p-1