1-(4-octylphenyl)-3-[2,4,6-tris(chloranyl)phenyl]urea

Systemtic Name: 1-(4-octylphenyl)-3-[2,4,6-tris(chloranyl)phenyl]urea Openeye Name: 1-(4-octylphenyl)-3-(2,4,6-trichlorophenyl)urea CAS Name: 1-(4-octylphenyl)-3-(2,4,6-trichlorophenyl)urea IUPAC Name: 1-(4-octylphenyl)-3-(2,4,6-trichlorophenyl)urea Traditional Name: 1-(4-octylphenyl)-3-(2,4,6-trichlorophenyl)urea Formula: C21H25Cl3N2O MolecularWeight: 427.795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C21H25Cl3N2O/c1-2-3-4-5-6-7-8-15-9-11-17(12-10-15)25-21(27)26-20-18(23)13-16(22)14-19(20)24/h9-14H,2-8H2,1H3,(H2,25,26,27)