2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-isocyanato-3-phenyl-oxane

Systemtic Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-isocyanato-3-phenyl-oxane Openeye Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-isocyanato-3-phenyl-tetrahydropyran CAS Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-isocyanato-3-phenyloxane IUPAC Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-isocyanato-3-phenyloxane Traditional Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-isocyanato-3-phenyl-tetrahydropyran Formula: C22H19F6NO3 MolecularWeight: 459.381579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(C(CCO2)N=C=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(C(CCO2)N=C=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19F6NO3/c1-13(15-9-16(21(23,24)25)11-17(10-15)22(26,27)28)32-20-19(14-5-3-2-4-6-14)18(29-12-30)7-8-31-20/h2-6,9-11,13,18-20H,7-8H2,1H3