3-oxidanylidene-5-pentadecyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazole-4-sulfonic acid

Systemtic Name: 3-oxidanylidene-5-pentadecyl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazole-4-sulfonic acid Openeye Name: 3-oxo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonic acid CAS Name: 3-oxo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonic acid IUPAC Name: 3-oxo-5-pentadecyl-2-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonic acid Traditional Name: 5-keto-3-pentadecyl-1-(2,4,6-trichlorophenyl)-3-pyrazoline-4-sulfonic acid Formula: C24H35Cl3N2O4S MolecularWeight: 553.9697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2Cl)Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C24H35Cl3N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-23(34(31,32)33)24(30)29(28-21)22-19(26)16-18(25)17-20(22)27/h16-17,28H,2-15H2,1H3,(H,31,32,33)