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

Systemtic Name: 4-(4-bromanyl-5-oxidanylidene-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(4-bromo-5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(4-bromo-5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: 4-(4-bromo-5-oxo-3-pentadecyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(4-bromo-5-keto-3-pentadecyl-2-pyrazolin-1-yl)besylic acid Formula: C24H37BrN2O4S MolecularWeight: 529.53058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1Br)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1Br)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C24H37BrN2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(25)24(28)27(26-22)20-16-18-21(19-17-20)32(29,30)31/h16-19,23H,2-15H2,1H3,(H,29,30,31)