4-(5-oxidanylidene-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(5-oxidanylidene-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-3-pentadecyl-2-pyrazolin-1-yl)besylic acid Formula: C24H38N2O4S MolecularWeight: 450.63452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C24H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-20-24(27)26(25-21)22-16-18-23(19-17-22)31(28,29)30/h16-19H,2-15,20H2,1H3,(H,28,29,30)