ethyl 4-(4-ethoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1H-1,3,5-triazine-2-carboxylate

Systemtic Name: ethyl 4-(4-ethoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1H-1,3,5-triazine-2-carboxylate Openeye Name: ethyl 4-(4-ethoxy-1-naphthyl)-4,6-bis(trichloromethyl)-1H-1,3,5-triazine-2-carboxylate CAS Name: 4-(4-ethoxy-1-naphthalenyl)-4,6-bis(trichloromethyl)-1H-1,3,5-triazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxynaphthalen-1-yl)-4,6-bis(trichloromethyl)-1H-1,3,5-triazine-2-carboxylate Traditional Name: 4-(4-ethoxy-1-naphthyl)-4,6-bis(trichloromethyl)-1H-s-triazine-2-carboxylic acid ethyl ester Formula: C20H17Cl6N3O3 MolecularWeight: 560.08528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C2=CC=CC=C21)C3(N=C(NC(=N3)C(Cl)(Cl)Cl)C(=O)OCC)C(Cl)(Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C2=CC=CC=C21)C3(N=C(NC(=N3)C(Cl)(Cl)Cl)C(=O)OCC)C(Cl)(Cl)Cl

InChI

InChI=1S/C20H17Cl6N3O3/c1-3-31-14-10-9-13(11-7-5-6-8-12(11)14)18(20(24,25)26)28-15(16(30)32-4-2)27-17(29-18)19(21,22)23/h5-10H,3-4H2,1-2H3,(H,27,28,29)