[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] octadecanoate

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] octadecanoate Openeye Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] octadecanoate CAS Name: octadecanoic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] octadecanoate Traditional Name: stearic acid [4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C30H44Cl2N2O3 MolecularWeight: 551.58796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=NN1C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=NN1C)C)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C30H44Cl2N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(35)37-30-28(23(2)33-34(30)3)29(36)25-21-20-24(31)22-26(25)32/h20-22H,4-19H2,1-3H3