3-heptadecyl-2-oxidanidyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-2-ium

Systemtic Name: 3-heptadecyl-2-oxidanidyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-2-ium Openeye Name: 3-heptadecyl-2-oxido-1-(2,4,6-trichlorophenyl)pyrazol-2-ium CAS Name: 3-heptadecyl-2-oxido-1-(2,4,6-trichlorophenyl)pyrazol-2-ium IUPAC Name: 3-heptadecyl-2-oxido-1-(2,4,6-trichlorophenyl)pyrazol-2-ium Traditional Name: 3-heptadecyl-2-oxido-1-(2,4,6-trichlorophenyl)pyrazol-2-ium Formula: C26H39Cl3N2O MolecularWeight: 501.95966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](N(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](N(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl)[O-]

InChI

InChI=1S/C26H39Cl3N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-19-30(31(23)32)26-24(28)20-22(27)21-25(26)29/h18-21H,2-17H2,1H3