phenethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate

Systemtic Name: phenethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate Openeye Name: phenethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate CAS Name: 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoic acid phenethyl ester IUPAC Name: phenethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate Traditional Name: 4-[4,6-bis(trichloromethyl)-s-triazin-2-yl]benzoic acid phenethyl ester Formula: C20H13Cl6N3O2 MolecularWeight: 540.05412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C20H13Cl6N3O2/c21-19(22,23)17-27-15(28-18(29-17)20(24,25)26)13-6-8-14(9-7-13)16(30)31-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2